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Search results for: '87-89-8'
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Isophorone-2,4,4,6,6-d₅
Cas Number: 1262769-87-8Formula: C9H14OMolecular weight: 143.24Synonyms: DTXSID30746424 | 2,4,4,6,6-pentadeuterio-3,5,5-trimethylcyclohex-2-en-1-one | Isophorone-2,4,4,6,6-d...SMILES: CC1=CC(=O)CC(C1)(C)CInChIKey: HJOVHMDZYOCNQW-FIFBNPHPSA-NInChI: InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3/i4D,5D2,6D2
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7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
Cas Number: 1334536-89-8Synonyms: 7-benzyl-2,7-diazaspiro[3.5]nonane dihydrochloride | 1334536-89-8 | 7-benzyl-2,7-diazaspiro[3.5]nona...SMILES: C1CN(CCC12CNC2)CC3=CC=CC=C3.Cl.ClInChIKey: OCNVLZCJFDMBME-UHFFFAOYSA-NInChI: InChI=1S/C14H20N2.2ClH/c1-2-4-13(5-3-1)10-16-8-6-14(7-9-16)11-15-12-14;;/h1-5,15H,6-12H2;2*1H
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ert-Butyl phenyl carbonate
Formula: C11H14O3Molecular weight: 194.23Synonyms: tert-Butyl phenyl carbonate|6627-89-0|t-Butyl phenyl carbonate|tert-Butylphenylcarbonate|DP3JXG8MSN|...SMILES: CC(C)(C)OC(=O)OC1=CC=CC=C1InChIKey: UXWVQHXKKOGTSY-UHFFFAOYSA-NInChI: InChI=1S/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3
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2,4-Difluoro-3-methylbenzonitrile
Cas Number: 847502-87-8Formula: C8H5F2NMolecular weight: 153.13Synonyms: 2,4-Difluoro-3-methylbenzonitrile|847502-87-8|2,4-Difluoro-3-methyl benzonitrile|Benzonitrile, 2,4-d...SMILES: CC1=C(C=CC(=C1F)C#N)FInChIKey: GNNHZCHETSTMOG-UHFFFAOYSA-NInChI: InChI=1S/C8H5F2N/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,1H3
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1-Methyl 2-nitroterephthalate
Cas Number: 35092-89-8Formula: C9H7NO6Molecular weight: 225.15Synonyms: 35092-89-8|4-(methoxycarbonyl)-3-nitrobenzoic acid|1-Methyl 2-nitroterephthalate|4-methoxycarbonyl-3...SMILES: COC(=O)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]InChIKey: MIIADZYPHVTLPR-UHFFFAOYSA-NInChI: InChI=1S/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12)
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3-(2-Morpholinoethylcarbamoyl)phenylboronic acid, HCl
Cas Number: 957060-89-8Formula: C13H20BClN2O4Molecular weight: 314.6Synonyms: 957060-89-8|(3-((2-Morpholinoethyl)carbamoyl)phenyl)boronic acid hydrochloride|3-(2-Morpholinoethylc...SMILES: B(C1=CC(=CC=C1)C(=O)NCCN2CCOCC2)(O)O.ClInChIKey: QBUJRGQOXYFCFK-UHFFFAOYSA-NInChI: InChI=1S/C13H19BN2O4.ClH/c17-13(11-2-1-3-12(10-11)14(18)19)15-4-5-16-6-8-20-9-7-16;/h1-3,10,18-19H,4-9H2,(H,15,17);1H
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2-Fluoroterephthalic acid
Cas Number: 3906-87-4Formula: C8H5FO4Molecular weight: 184.12Synonyms: 2-Fluoroterephthalic acid|3906-87-4|1,4-Benzenedicarboxylic acid, 2-fluoro-|2-Fluoroterephthalicacid...SMILES: C1=CC(=C(C=C1C(=O)O)F)C(=O)OInChIKey: YUWKPDBHJFNMAD-UHFFFAOYSA-NInChI: InChI=1S/C8H5FO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
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(4-Chlorophenylsulfonyl)acetic acid
Cas Number: 3405-89-8Formula: C8H7ClO4SMolecular weight: 234.66Synonyms: 3405-89-8|2-[(4-Chlorophenyl)Sulfonyl]Acetic Acid|2-(4-chlorophenyl)sulfonylacetic acid|4-Chlorophen...SMILES: C1=CC(=CC=C1S(=O)(=O)CC(=O)O)ClInChIKey: IAONCYGNBVHNCT-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClO4S/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4H,5H2,(H,10,11)
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Cefadroxil hydrate
Cas Number: 66592-87-8Formula: C16H17N3O5S • H2OMolecular weight: 381.4Synonyms: Cefadroxil monohydrate|66592-87-8|Cefadroxil hydrate|Duricef|Bidocel|Cefadroxil 1-wasser|Cefadroxil ...SMILES: CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O.OInChIKey: NBFNMSULHIODTC-CYJZLJNKSA-NInChI: InChI=1S/C16H17N3O5S.H2O/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8;/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24);1H2/t10-,11-,15-;/m1./s1
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5-Chloro-2-naphthoic acid
Cas Number: 56961-89-8Formula: C11H7ClO2Molecular weight: 206.63Synonyms: 5-chloro-2-naphthoic acid|56961-89-8|5-Chloronaphthalene-2-carboxylic acid|5-chloro-2-naphthoicacid|...SMILES: C1=CC2=C(C=CC(=C2)C(=O)O)C(=C1)ClInChIKey: WVRYXJXPKJMSON-UHFFFAOYSA-NInChI: InChI=1S/C11H7ClO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-6H,(H,13,14)
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Thymol
Formula: C10H14OMolecular weight: 150.22Synonyms: AKOS000119786 | EC 201-944-8 | FEMA Number 3066 | THYMOL [WHO-DD] | 2-iso-Propyl-d7-5-Methyl-d3-phen...SMILES: CC1=CC(=C(C=C1)C(C)C)OInChIKey: MGSRCZKZVOBKFT-UHFFFAOYSA-NInChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
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Ethyl 2-(2,4-dichlorophenyl)thiazole-4-carboxylate
Cas Number: 1185155-89-8Formula: C12H9Cl2NO2SMolecular weight: 302.2Synonyms: Ethyl 2-(2,4-dichlorophenyl)thiazole-4-carboxylate|1185155-89-8|ethyl 2-(2,4-dichlorophenyl)-1,3-thi...SMILES: CCOC(=O)C1=CSC(=N1)C2=C(C=C(C=C2)Cl)ClInChIKey: XJSLIJXHNXGMOL-UHFFFAOYSA-NInChI: InChI=1S/C12H9Cl2NO2S/c1-2-17-12(16)10-6-18-11(15-10)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3
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5-iodo-2-(trifluoromethyl)pyridin-4-ol
Cas Number: 1027818-89-8 EC Number: 869-198-1Formula: C6H3NOF3IMolecular weight: 288.99Synonyms: PB39409 | AS-813/43501868 | Z1681357903 | 5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one | 1027818-89-8...SMILES: C1=C(NC=C(C1=O)I)C(F)(F)FInChIKey: CGLFJGAJEPFGDZ-UHFFFAOYSA-NInChI: InChI=1S/C6H3F3INO/c7-6(8,9)5-1-4(12)3(10)2-11-5/h1-2H,(H,11,12)
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3-Carboxy-2-fluorophenylboronic acid, pinacol ester
Cas Number: 1373168-89-8Formula: C13H16BFO4Molecular weight: 266.1Synonyms: 1373168-89-8|2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid|3-Carboxy-2-fluoro...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)C(=O)O)FInChIKey: WVKOYVWFDCAHKF-UHFFFAOYSA-NInChI: InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)9-7-5-6-8(10(9)15)11(16)17/h5-7H,1-4H3,(H,16,17)
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3-methyloxetan-3-amine hydrochloride
Cas Number: 1363404-87-8Formula: C4H10ClNOMolecular weight: 123.58Synonyms: 1363404-87-8|3-Methyloxetan-3-amine hydrochloride|3-Methyl-3-oxetanamine hydrochloride|3-Amino-3-met...SMILES: CC1(COC1)N.ClInChIKey: BEFPEKUQJGOBLX-UHFFFAOYSA-NInChI: InChI=1S/C4H9NO.ClH/c1-4(5)2-6-3-4;/h2-3,5H2,1H3;1H
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3-Bromoindole-5-carboxylic acid
Cas Number: 916179-87-8Formula: C9H6BrNO2Molecular weight: 240.1Synonyms: 3-BROMOINDOLE-5-CARBOXYLIC ACID|916179-87-8|3-BROMO-1H-INDOLE-5-CARBOXYLIC ACID|MFCD12828698|SCHEMBL...SMILES: C1=CC2=C(C=C1C(=O)O)C(=CN2)BrInChIKey: VCNFRMMIMOPFGP-UHFFFAOYSA-NInChI: InChI=1S/C9H6BrNO2/c10-7-4-11-8-2-1-5(9(12)13)3-6(7)8/h1-4,11H,(H,12,13)
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exo-IWR 1
Cas Number: 1127442-87-8Formula: C25H19N3O3Molecular weight: 409.44Synonyms: SCHEMBL17369116 | IWR 1-exo | exo-IWR-1 | J-002832 | 1127442-87-8 | CHEBI:62883 | HY-108437 | IWR-1-...SMILES: C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6InChIKey: ZGSXEXBYLJIOGF-BTYSMDAFSA-NInChI: InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20+,21-
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Hexachloro-1,3-butadiene
Cas Number: 87-68-3(Methanol) EC Number: 201-765-5Formula: C4Cl6Molecular weight: 260.76Synonyms: Hexachlor-1,3-butadien | Hexachlorbutadiene | CAS-87-68-3 | Hexachloro-1,3-butadiene, PESTANAL(R), a...SMILES: C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)ClInChIKey: RWNKSTSCBHKHTB-UHFFFAOYSA-NInChI: InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10
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tert-butyl 3-oxospiro[benzofuran-2,4-piperidine]-1-carboxylate
Cas Number: 1207163-87-8Formula: C17H21NO4Molecular weight: 303.35Synonyms: 1207163-87-8 | 1,1-Dimethylethyl 3-oxospiro[benzofuran-2(3H),4'-piperidine]-1'-carboxylate | tert-Bu...SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)C3=CC=CC=C3O2InChIKey: ROTZQDUXIIVXAA-UHFFFAOYSA-NInChI: InChI=1S/C17H21NO4/c1-16(2,3)22-15(20)18-10-8-17(9-11-18)14(19)12-6-4-5-7-13(12)21-17/h4-7H,8-11H2,1-3H3
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(+)-Pulegone
Cas Number: 89-82-7Formula: C10H16OMolecular weight: 152.24Synonyms: Pulegone|(+)-Pulegone|89-82-7|d-Pulegone|(R)-Pulegone|(R)-(+)-Pulegone|Pulegon|(+)-(R)-Pulegone|(1R)...SMILES: CC1CCC(=C(C)C)C(=O)C1InChIKey: NZGWDASTMWDZIW-MRVPVSSYSA-NInChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
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2,2,2-Trifluoroethyl methacrylate
Formula: C6H7F3O2Molecular weight: 168.11Synonyms: 2,2,2-TRIFLUOROETHYL METHACRYLATE|352-87-4|Trifluoroethyl methacrylate|2,2,2-trifluoroethyl 2-methyl...SMILES: CC(=C)C(=O)OCC(F)(F)FInChIKey: QTKPMCIBUROOGY-UHFFFAOYSA-NInChI: InChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3
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Reboxetine, Inhibitor of NET
Cas Number: 71620-89-8Formula: C19H23NO3Molecular weight: 313.39Synonyms: Reboxetine|71620-89-8|98769-81-4|Reboxetine [INN]|105017-38-7|(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylme...SMILES: CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3InChIKey: CBQGYUDMJHNJBX-RTBURBONSA-NInChI: InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1
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2 Citations 
