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Search results for: '785777-94-8'
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5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
Cas Number: 920978-94-5Formula: C8H5FN2O2Molecular weight: 180.138Synonyms: 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid|920978-94-5|5-FLUORO-7-AZAINDOLE-2-CARBOXYLIC A...SMILES: C1=C2C=C(NC2=NC=C1F)C(=O)OInChIKey: GLNFIUUKQXOTOZ-UHFFFAOYSA-NInChI: InChI=1S/C8H5FN2O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13)
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2,4-Dibromo-5-methylanisole
Cas Number: 5456-94-0Formula: C8H8Br2OMolecular weight: 280Synonyms: 2,4-Dibromo-5-methoxytoluene|5456-94-0|1,5-Dibromo-2-methoxy-4-methylbenzene|2,4-Dibromo-5-methylani...SMILES: CC1=CC(=C(C=C1Br)Br)OCInChIKey: CDLNHQVKSMDSAI-UHFFFAOYSA-NInChI: InChI=1S/C8H8Br2O/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,1-2H3
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3-Methylbenzothiazole-2-thione
Cas Number: 2254-94-6Formula: C8H7NS2Molecular weight: 181.28Synonyms: 2254-94-6|N-Methylbenzothiazole-2-thione|3-Methylbenzo[d]thiazole-2(3H)-thione|3-Methylbenzothiazole...SMILES: CN1C2=CC=CC=C2SC1=SInChIKey: IRNRNPNZAKHEAW-UHFFFAOYSA-NInChI: InChI=1S/C8H7NS2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3
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1-(3-Chlorophenyl)piperazin-2-one hydrochloride
Cas Number: 183500-94-9Formula: C10H12Cl2N2OMolecular weight: 247.12Synonyms: 1-(3-chlorophenyl)piperazin-2-one Hydrochloride|183500-94-9|1-(3-CHLOROPHENYL)PIPERAZIN-2-ONE HCL|1-...SMILES: C1CN(C(=O)CN1)C2=CC(=CC=C2)Cl.ClInChIKey: NZULMVLNYMMNLJ-UHFFFAOYSA-NInChI: InChI=1S/C10H11ClN2O.ClH/c11-8-2-1-3-9(6-8)13-5-4-12-7-10(13)14;/h1-3,6,12H,4-5,7H2;1H
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p-Anisidine
Cas Number: 104-94-9Formula: C7H9NOMolecular weight: 123.15Synonyms: p-Anisidine|4-Methoxyaniline|104-94-9|4-Anisidine|4-Methoxybenzenamine|4-Aminoanisole|p-Methoxyanili...SMILES: COC1=CC=C(C=C1)NInChIKey: BHAAPTBBJKJZER-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
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5-Phenylpenta-2,4-dienoic acid
Cas Number: 1552-94-9Formula: C11H10O2Molecular weight: 174.2Synonyms: 5-Phenylpenta-2,4-dienoic acid|1552-94-9|(2E,4E)-5-phenylpenta-2,4-dienoic acid|5-Phenyl-2,4-pentadi...SMILES: C1=CC=C(C=C1)C=CC=CC(=O)OInChIKey: FEIQOMCWGDNMHM-KBXRYBNXSA-NInChI: InChI=1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,12,13)/b8-4+,9-5+
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tert-butyl 3-{[(benzyloxy)carbonyl]amino}-3-(hydroxymethyl)azetidine-1-carboxylate
Cas Number: 1363380-94-2Formula: C17H24N2O5Molecular weight: 336.39Synonyms: 1-Boc-3-(Cbz-amino)azetidine-3-methanol | 1363380-94-2 | TERT-BUTYL 3-{[(BENZYLOXY)CARBONYL]AMINO}-3...SMILES: CC(C)(C)OC(=O)N1CC(C1)(CO)NC(=O)OCC2=CC=CC=C2InChIKey: GEDPXILIQSHPKM-UHFFFAOYSA-NInChI: InChI=1S/C17H24N2O5/c1-16(2,3)24-15(22)19-10-17(11-19,12-20)18-14(21)23-9-13-7-5-4-6-8-13/h4-8,20H,9-12H2,1-3H3,(H,18,21)
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(S)-3-(4-(Trifluoromethyl)phenyl)morpholine
Cas Number: 1213924-94-7 EC Number: 881-387-0Formula: C11H12NOF3Molecular weight: 231.21Synonyms: SCHEMBL17524747 | 1213924-94-7 | MFCD11016406 | D84870 | A930603 | AS-79643 | (3S)-3-[4-(trifluorome...SMILES: C1COCC(N1)C2=CC=C(C=C2)C(F)(F)FInChIKey: CKCJOQMDMYPVKX-SNVBAGLBSA-NInChI: InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h1-4,10,15H,5-7H2/t10-/m1/s1
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Sasapyrine
Formula: C14H10O5Molecular weight: 258.23Synonyms: Salsalate|sasapyrine|552-94-3|Salicylsalicylic acid|Disalicylic acid|Disalcid|2-Carboxyphenyl salicy...SMILES: C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)OInChIKey: WVYADZUPLLSGPU-UHFFFAOYSA-NInChI: InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)
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Hypoxanthine
Formula: C5H4N4OMolecular weight: 136.11Synonyms: hypoxanthine|68-94-0|6-Hydroxypurine|9H-Purin-6-ol|7H-Purin-6-ol|Sarkin|Sarcine|3H-Purin-6-ol|6-Oxop...SMILES: C1=NC2=C(N1)C(=O)NC=N2InChIKey: FDGQSTZJBFJUBT-UHFFFAOYSA-NInChI: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
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3-(3,5-Dimethoxyphenyl)propionic acid
Cas Number: 717-94-2Formula: C11H14O4Molecular weight: 210.23Synonyms: 717-94-2|3-(3,5-DIMETHOXYPHENYL)PROPIONIC ACID|3-(3,5-dimethoxyphenyl)propanoic Acid|3,5-DIMETHOXYPH...SMILES: COC1=CC(=CC(=C1)CCC(=O)O)OCInChIKey: LMBOJOXVLORKSQ-UHFFFAOYSA-NInChI: InChI=1S/C11H14O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h5-7H,3-4H2,1-2H3,(H,12,13)
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1-tert-butyl 3-ethyl 3-carbamoylazetidine-1,3-dicarboxylate
Cas Number: 1105663-94-2Formula: C12H20N2O5Molecular weight: 272.301Synonyms: 1-tert-butyl 3-ethyl 3-carbamoylazetidine-1,3-dicarboxylate|1105663-94-2|MFCD28401681|1-O-tert-butyl...SMILES: CCOC(=O)C1(CN(C1)C(=O)OC(C)(C)C)C(=O)NInChIKey: TYHWSMCZSPERFP-UHFFFAOYSA-NInChI: InChI=1S/C12H20N2O5/c1-5-18-9(16)12(8(13)15)6-14(7-12)10(17)19-11(2,3)4/h5-7H2,1-4H3,(H2,13,15)
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2-Chloro-7-trifluoromethylquinoxaline
Cas Number: 883-94-3Formula: C9H4ClF3N2Molecular weight: 232.6Synonyms: 883-94-3|2-chloro-7-(trifluoromethyl)quinoxaline|2-Chloro-7-trifluoromethylquinoxaline|MFCD13193272|...SMILES: C1=CC2=NC=C(N=C2C=C1C(F)(F)F)ClInChIKey: QZIICAUFDSJYTM-UHFFFAOYSA-NInChI: InChI=1S/C9H4ClF3N2/c10-8-4-14-6-2-1-5(9(11,12)13)3-7(6)15-8/h1-4H
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3-Nitropyrazole
Cas Number: 26621-44-3Formula: C3H3N3O2Molecular weight: 113.08Synonyms: 5-nitro-1H-pyrazole | DTXSID20181168 | CS-W002457 | Djw 94 | SCHEMBL938 | A5253 | BCP10030 | Djw-94 ...SMILES: C1=C(NN=C1)[N+](=O)[O-]InChIKey: MZRUFMBFIKGOAL-UHFFFAOYSA-NInChI: InChI=1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5)
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(S)-(+)-2-Heptyl isothiocyanate
Synonyms: (S)-(+)-2-Heptyl isothiocyanate|737000-94-1|(2S)-2-ISOTHIOCYANATOHEPTANE|DTXSID60426868|MFCD05664052...SMILES: CCCCCC(C)N=C=SInChIKey: UPTLUDLHIIYPNC-QMMMGPOBSA-NInChI: InChI=1S/C8H15NS/c1-3-4-5-6-8(2)9-7-10/h8H,3-6H2,1-2H3/t8-/m0/s1
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(6R)-6-methylpiperidin-3-one hydrochloride
Cas Number: 2306253-94-9Synonyms: 2306253-94-9 | (6R)-6-methylpiperidin-3-one hydrochloride | (R)-6-Methylpiperidin-3-one hydrochlorid...SMILES: CC1CCC(=O)CN1.ClInChIKey: JWFMRQAUOAAUHP-NUBCRITNSA-NInChI: InChI=1S/C6H11NO.ClH/c1-5-2-3-6(8)4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m1./s1
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2,4,6-Trimethyl-1,3,5-triazine
Cas Number: 823-94-9Formula: C6H9N3Molecular weight: 123.16Synonyms: 2,4,6-Trimethyl-1,3,5-triazine|823-94-9|1,3,5-Triazine, 2,4,6-trimethyl-|trimethyl-1,3,5-triazine|MF...SMILES: CC1=NC(=NC(=N1)C)CInChIKey: LASVAZQZFYZNPK-UHFFFAOYSA-NInChI: InChI=1S/C6H9N3/c1-4-7-5(2)9-6(3)8-4/h1-3H3
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Fmoc-Arg(NO₂)-OH
Cas Number: 58111-94-7Formula: C21H23N5O6Molecular weight: 441.44Synonyms: Fmoc-Arg(NO2)-OH|58111-94-7|(2S)-5-[[amino(nitramido)methylidene]amino]-2-(9H-fluoren-9-ylmethoxycar...SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)OInChIKey: RXMHIKWOZKQXCJ-SFHVURJKSA-NInChI: InChI=1S/C21H23N5O6/c22-20(25-26(30)31)23-11-5-10-18(19(27)28)24-21(29)32-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,24,29)(H,27,28)(H3,22,23,25)/t18-/m0/s1
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5-Chloro-2-ethoxy-3-fluoropyridine
Cas Number: 886373-94-0Formula: C7H7ClFNOMolecular weight: 175.6Synonyms: 5-CHLORO-2-ETHOXY-3-FLUOROPYRIDINE|886373-94-0|SCHEMBL2452622|DTXSID10674392|MFCD07375054|AKOS006285...SMILES: CCOC1=C(C=C(C=N1)Cl)FInChIKey: VWGBQMRDTSDSKE-UHFFFAOYSA-NInChI: InChI=1S/C7H7ClFNO/c1-2-11-7-6(9)3-5(8)4-10-7/h3-4H,2H2,1H3
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2-(3-methoxyoxetan-3-yl)ethan-1-ol
Cas Number: 1609489-94-2Formula: C6H12O3Molecular weight: 132.16Synonyms: 2-(3-methoxyoxetan-3-yl)ethan-1-ol | 1609489-94-2 | MFCD31697620 | SB40964 | P18427SMILES: COC1(COC1)CCOInChIKey: VTUNHKACBUEYGK-UHFFFAOYSA-NInChI: InChI=1S/C6H12O3/c1-8-6(2-3-7)4-9-5-6/h7H,2-5H2,1H3
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Methyl 1-(3-fluorobenzyl)-4-piperidinecarboxylate
Cas Number: 383146-94-9Formula: C14H18FNO2Molecular weight: 251.3Synonyms: 383146-94-9|Methyl 1-(3-fluorobenzyl)-4-piperidinecarboxylate|Methyl 1-[(3-fluorophenyl)methyl]piper...SMILES: COC(=O)C1CCN(CC1)CC2=CC(=CC=C2)FInChIKey: BZDVRSAZKXOIHL-UHFFFAOYSA-NInChI: InChI=1S/C14H18FNO2/c1-18-14(17)12-5-7-16(8-6-12)10-11-3-2-4-13(15)9-11/h2-4,9,12H,5-8,10H2,1H3
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4,4'-Azoxyanisole
Formula: C14H14N2O3Molecular weight: 258.27Synonyms: DTXSID5024554 | p,p'-Dimethoxyazoxybenzene | (Z)-4,4'-dimethoxyazoxybenzene | 4,4'-DIMETHOXYAZOXYBEN...SMILES: COC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OC)[O-]InChIKey: KAEZRSFWWCTVNP-UHFFFAOYSA-NInChI: InChI=1S/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3
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6-Methoxyquinoline-4-carbaldehyde
Cas Number: 4363-94-4Formula: C11H9NO2Molecular weight: 187.2Synonyms: 6-methoxyquinoline-4-carbaldehyde|4363-94-4|6-Methoxyquinoline-4-carboxaldehyde|NSC449|SCHEMBL590873...SMILES: COC1=CC2=C(C=CN=C2C=C1)C=OInChIKey: PDGKZDPIWAKVLH-UHFFFAOYSA-NInChI: InChI=1S/C11H9NO2/c1-14-9-2-3-11-10(6-9)8(7-13)4-5-12-11/h2-7H,1H3
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5-iodo-2-methyl-2H-indazole
Cas Number: 1150617-94-9Formula: C8H7IN2Molecular weight: 258.06Synonyms: FIQGETDPEXQPPK-UHFFFAOYSA-N | MFCD11977518 | AWB61794 | J-517635 | 1150617-94-9 | DS-11125 | BCP0002...SMILES: CN1C=C2C=C(C=CC2=N1)IInChIKey: FIQGETDPEXQPPK-UHFFFAOYSA-NInChI: InChI=1S/C8H7IN2/c1-11-5-6-4-7(9)2-3-8(6)10-11/h2-5H,1H3
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