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Search results for: '5331-87-3'
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3,3'-Dichloro-4,4'-diisocyanatobiphenyl
Cas Number: 5331-87-3Formula: C14H6Cl2N2O2Molecular weight: 305.11Synonyms: 3,3'-Dichloro-4,4'-diisocyanatobiphenyl | DTXSID20277434 | A829508 | D89879 | 3,3'-Dichlorobiphenyl-...SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N=C=O)Cl)Cl)N=C=OInChIKey: JITXMLLVGWGFGV-UHFFFAOYSA-NInChI: InChI=1S/C14H6Cl2N2O2/c15-11-5-9(1-3-13(11)17-7-19)10-2-4-14(18-8-20)12(16)6-10/h1-6H
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2-Amino-4-chlorobenzoic acid
Formula: C7H6ClNO2Molecular weight: 171.58Synonyms: PS-4144 | STL195536 | A811726 | A-5331 | 4-Chloroanthranil acid | A0661 | AI3-52450 | 4-Chloro anthr...SMILES: C1=CC(=C(C=C1Cl)N)C(=O)OInChIKey: JYYLQSCZISREGY-UHFFFAOYSA-NInChI: InChI=1S/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
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methyl 2-amino-3-fluoro-5-(trifluoromethyl)benzoate
Cas Number: 1805393-87-6Formula: C9H7NO2F4Molecular weight: 237.15Synonyms: Methyl 2-amino-3-fluoro-5-(trifluoromethyl)benzoate | 1805393-87-6 | E88485SMILES: COC(=O)C1=C(C(=CC(=C1)C(F)(F)F)F)NInChIKey: DPWXAZXVYWXYAW-UHFFFAOYSA-NInChI: InChI=1S/C9H7F4NO2/c1-16-8(15)5-2-4(9(11,12)13)3-6(10)7(5)14/h2-3H,14H2,1H3
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H87/07, Antagonist of β 1-adrenoceptor
Cas Number: 30311-37-6Synonyms: 1-isopropylamino-3-[4-(2-methoxyethoxy)-phenoxy]-2-propanol | H 87-07 | DTXSID60952672 | BDBM5040670...SMILES: COCCOc1ccc(cc1)OCC(CNC(C)C)OInChIKey: FGAPARDHTDKREN-UHFFFAOYSA-NInChI: InChI=1S/C15H25NO4/c1-12(2)16-10-13(17)11-20-15-6-4-14(5-7-15)19-9-8-18-3/h4-7,12-13,16-17H,8-11H2,1-3H3
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1,1-dioxo-tetrahydrothiopyran-4-carboxylic acid
Cas Number: 64096-87-3Formula: C6H10O4SMolecular weight: 178.206Synonyms: 64096-87-3|Tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide|1,1-dioxothiane-4-carboxylic Acid|1...SMILES: C1CS(=O)(=O)CCC1C(=O)OInChIKey: RPJRJUVGGDVVDF-UHFFFAOYSA-NInChI: InChI=1S/C6H10O4S/c7-6(8)5-1-3-11(9,10)4-2-5/h5H,1-4H2,(H,7,8)
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BAY 87-2243
Cas Number: 1227158-85-1Formula: C26H26F3N7O2Molecular weight: 525.54Synonyms: BAY 87-2243|1227158-85-1|BAY87-2243|bay-87-2243|5XQ7LE6DZG|1-cyclopropyl-4-[4-[[5-methyl-3-[3-[4-(tr...SMILES: CC1=CC(=NN1CC2=CC(=NC=C2)N3CCN(CC3)C4CC4)C5=NC(=NO5)C6=CC=C(C=C6)OC(F)(F)FInChIKey: CDJNNOJINJAXPV-UHFFFAOYSA-NInChI: InChI=1S/C26H26F3N7O2/c1-17-14-22(25-31-24(33-38-25)19-2-6-21(7-3-19)37-26(27,28)29)32-36(17)16-18-8-9-30-23(15-18)35-12-10-34(11-13-35)20-4-5-20/h2-3,6-9,14-15,20H,4-5,10-13,16H2,1H3
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Cyclohexylammonium Iodide
Cas Number: 45492-87-3Formula: C6H13N•HIMolecular weight: 227.09Synonyms: Cyclohexylamine Hydroiodide|Cyclohexylamin-jodhydrat|45492-87-3|cyclohexanamine;hydroiodide|Cyclohex...SMILES: C1CCC(CC1)N.IInChIKey: WGYRINYTHSORGH-UHFFFAOYSA-NInChI: InChI=1S/C6H13N.HI/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
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N-(3-aminocyclobutyl)acetamide
Cas Number: 1156366-87-8Formula: C6H12N2OMolecular weight: 128.18Synonyms: N-(3-AMINOCYCLOBUTYL)ACETAMIDE | 1156366-87-8 | SCHEMBL21452933 | MFCD12082072 | PB34690 | CS-004885...SMILES: CC(=O)NC1CC(C1)NInChIKey: CFUVFJNZAXAVKB-UHFFFAOYSA-NInChI: InChI=1S/C6H12N2O/c1-4(9)8-6-2-5(7)3-6/h5-6H,2-3,7H2,1H3,(H,8,9)
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(3S,5S)-1-benzyl-5-methyl-piperidin-3-ol
Cas Number: 1101840-87-2Formula: C13H19NOMolecular weight: 205.3Synonyms: (3S,5S)-1-Benzyl-5-methyl-piperidin-3-ol | 1101840-87-2 | SCHEMBL734348 | F89057SMILES: CC1CC(CN(C1)CC2=CC=CC=C2)OInChIKey: ADFBVTAJGJLTTL-AAEUAGOBSA-NInChI: InChI=1S/C13H19NO/c1-11-7-13(15)10-14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m0/s1
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5-chloro-2H-pyrazolo[3,4-b]pyrazin-3-amine
Cas Number: 1823231-87-3Formula: C5H4N5ClMolecular weight: 169.57Synonyms: 5-Chloro-1H-pyrazolo[3,4-b]pyrazin-3-amine | 1823231-87-3 | FT-0774539 | F78158SMILES: C1=NC2=NNC(=C2N=C1Cl)NInChIKey: MTHVAFVNSFWSKS-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClN5/c6-2-1-8-5-3(9-2)4(7)10-11-5/h1H,(H3,7,8,10,11)
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3-methyl-1H-pyrazol-5-ol
Cas Number: 132712-71-1Formula: C4H6N2OMolecular weight: 98.105Synonyms: 3-methyl-1H-pyrazol-5-ol|3-Methyl-3-pyrazolin-5-one|4344-87-0|5-Methyl-1H-pyrazol-3-ol|132712-71-1|3...SMILES: CC1=CC(=O)NN1InChIKey: WGVHNCAJPFIFCR-UHFFFAOYSA-NInChI: InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)
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[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methanol
Cas Number: 2561517-87-9Formula: C9H16NOF·HClMolecular weight: 209.69Synonyms: SCHEMBL22725332 | AT26314 | [1-[[(3R)-3-FLUOROPYRROLIDIN-1-YL]METHYL]CYCLOPROPYL]METHANOL | 2561517-...SMILES: C1CN(CC1F)CC2(CC2)COInChIKey: QJQCVYXQIGSXLS-MRVPVSSYSA-NInChI: InChI=1S/C9H16FNO/c10-8-1-4-11(5-8)6-9(7-12)2-3-9/h8,12H,1-7H2/t8-/m1/s1
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Tetrabromofluorescein Potassium Salt
Cas Number: 56897-54-2Formula: C20H6Br4K2O5Molecular weight: 724.08Synonyms: Tetrabromofluorescein Potassium Salt | SPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-3-ONE, 2',4',5',7'-...SMILES: C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].[K+].[K+]InChIKey: GZAAPEKTGHKWRZ-UHFFFAOYSA-LInChI: InChI=1S/C20H8Br4O5.2K/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2
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trans-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methyl-piperidin-4-ol
Cas Number: 1612176-87-0Formula: C10H15N4OFMolecular weight: 226.25Synonyms: trans-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methyl-piperidin-4-ol | 1612176-87-0 | SCHEMBL23593447 | ...SMILES: CC1(CN(CCC1O)C2=NC=CC(=N2)N)FInChIKey: VOQUXWJRSPKSKC-GMSGAONNSA-NInChI: InChI=1S/C10H15FN4O/c1-10(11)6-15(5-3-7(10)16)9-13-4-2-8(12)14-9/h2,4,7,16H,3,5-6H2,1H3,(H2,12,13,14)/t7-,10-/m1/s1
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6-bromo-1H-furo[3,4-c]pyridin-3-one
Cas Number: 1823965-87-2Formula: C7H4NO2BrMolecular weight: 214.02Synonyms: furo[3,4-c]pyridin-3(1h)-one,6-bromo- | E88308 | 6-BROMOFURO[3,4-C]PYRIDIN-3(1H)-ONE | 1823965-87-2SMILES: C1C2=CC(=NC=C2C(=O)O1)BrInChIKey: NAEOGYJCZYKXPU-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrNO2/c8-6-1-4-3-11-7(10)5(4)2-9-6/h1-2H,3H2
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[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]methanamine
Cas Number: 1823811-87-5Formula: C11H12NOF3Molecular weight: 231.21Synonyms: (3-(4-(trifluoromethyl)phenyl)oxetan-3-yl)methanamine | 1823811-87-5 | [3-[4-(trifluoromethyl)phenyl...SMILES: C1C(CO1)(CN)C2=CC=C(C=C2)C(F)(F)FInChIKey: BQCOVJVVXBTCQJ-UHFFFAOYSA-NInChI: InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10(5-15)6-16-7-10/h1-4H,5-7,15H2
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3-(hydroxymethyl)-3-methylcyclobutan-1-one
Cas Number: 1523617-87-9Formula: C6H10O2Molecular weight: 114.144Synonyms: 1523617-87-9|3-(Hydroxymethyl)-3-methylcyclobutanone|3-Hydroxymethyl-3-methylcyclobutanone|3-(hydrox...SMILES: CC1(CC(=O)C1)COInChIKey: IJYXWHKZTMPPFH-UHFFFAOYSA-NInChI: InChI=1S/C6H10O2/c1-6(4-7)2-5(8)3-6/h7H,2-4H2,1H3
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(3R,5S)-1-benzyl-5-methyl-piperidin-3-ol
Cas Number: 1601475-87-9Formula: C13H19NOMolecular weight: 205.3Synonyms: (3R,5S)-1-benzyl-5-methyl-piperidin-3-ol | 1601475-87-9 | SCHEMBL21419731 | (3R,5S)-1-benzyl-5-methy...SMILES: CC1CC(CN(C1)CC2=CC=CC=C2)OInChIKey: ADFBVTAJGJLTTL-WCQYABFASA-NInChI: InChI=1S/C13H19NO/c1-11-7-13(15)10-14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+/m0/s1
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4-(3-Chlorophenyl)-2,6-diphenylpyrimidine
Cas Number: 1536209-87-6Formula: C22H15ClN2Molecular weight: 342.83Synonyms: SY237604 | 4-(3-Chlorophenyl)-2,6-diphenylpyrimidine | AMY37858 | AS-65018 | C3519 | AKOS026673982 |...SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)ClInChIKey: FDTRHTNHPKRWFG-UHFFFAOYSA-NInChI: InChI=1S/C22H15ClN2/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17/h1-15H
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5-bromo-6-(difluoromethyl)pyridin-2-amine
Cas Number: 1805958-87-5Formula: C6H5N2F2BrMolecular weight: 223.02Synonyms: 5-Bromo-6-(difluoromethyl)pyridin-2-amine | 1805958-87-5 | TQU0351 | 6-Amino-3-bromo-2-(difluorometh...SMILES: C1=CC(=NC(=C1Br)C(F)F)NInChIKey: GSBGARZZGTUYQC-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrF2N2/c7-3-1-2-4(10)11-5(3)6(8)9/h1-2,6H,(H2,10,11)
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3-methylazepan-3-ol hydrochloride
Cas Number: 1823252-87-4Formula: C7H15NO·HClMolecular weight: 165.66Synonyms: 3-Methylazepan-3-ol hydrochloride | 1823252-87-4 | 3-Methylazepan-3-ol HCl | 3-methylazepan-3-ol | h...SMILES: CC1(CCCCNC1)O.ClInChIKey: LSTDMUGHSTUVSL-UHFFFAOYSA-NInChI: InChI=1S/C7H15NO.ClH/c1-7(9)4-2-3-5-8-6-7;/h8-9H,2-6H2,1H3;1H
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(3R)-1-benzyl-3-methyl-piperidin-4-one
Cas Number: 2199214-87-2Formula: C13H17NOMolecular weight: 203.28Synonyms: (3R)-1-benzyl-3-methyl-piperidin-4-one | 2199214-87-2 | (3R)-1-benzyl-3-methylpiperidin-4-one | SCHE...SMILES: CC1CN(CCC1=O)CC2=CC=CC=C2InChIKey: OVQAJYCAXPHYNV-LLVKDONJSA-NInChI: InChI=1S/C13H17NO/c1-11-9-14(8-7-13(11)15)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m1/s1
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4-bromo-3-morpholino-benzonitrile
Cas Number: 2090718-87-7Formula: C11H11N2OBrMolecular weight: 267.12Synonyms: 4-bromo-3-morpholino-benzonitrile | 2090718-87-7 | 4-Bromo-3-morpholinobenzonitrile | starbld0033549...SMILES: C1COCCN1C2=C(C=CC(=C2)C#N)BrInChIKey: OLNWNNKUWABVCD-UHFFFAOYSA-NInChI: InChI=1S/C11H11BrN2O/c12-10-2-1-9(8-13)7-11(10)14-3-5-15-6-4-14/h1-2,7H,3-6H2
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3-Formylbenzamide
Cas Number: 126534-87-0Formula: C8H7NO2Molecular weight: 149.15Synonyms: 3-formylbenzamide|126534-87-0|Benzamide, 3-formyl-|3-Formyl-benzamide|CHEMBL43885|MFCD09758970|3-Car...SMILES: C1=CC(=CC(=C1)C(=O)N)C=OInChIKey: AYYCJLDODRZCOB-UHFFFAOYSA-NInChI: InChI=1S/C8H7NO2/c9-8(11)7-3-1-2-6(4-7)5-10/h1-5H,(H2,9,11)
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