Organic compounds
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Atenolol 98.0+%, TCI America™
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CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.341 MDL Number: MFCD00057645 InChI Key: METKIMKYRPQLGS-UHFFFAOYSA-N Synonym: atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm PubChem CID: 2249 ChEBI: CHEBI:2904 IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide SMILES: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
| PubChem CID | 2249 |
|---|---|
| CAS | 29122-68-7 |
| Molecular Weight (g/mol) | 266.341 |
| ChEBI | CHEBI:2904 |
| MDL Number | MFCD00057645 |
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O |
| Synonym | atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm |
| IUPAC Name | 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| InChI Key | METKIMKYRPQLGS-UHFFFAOYSA-N |
| Molecular Formula | C14H22N2O3 |
1,1'-Thiocarbonyldi-2(1H)-pyridone 98.0+%, TCI America™
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CAS: 102368-13-8 Molecular Formula: C11H8N2O2S Molecular Weight (g/mol): 232.26 MDL Number: MFCD00075238 InChI Key: KXMMNJQMGILZDB-UHFFFAOYSA-N PubChem CID: 853162 IUPAC Name: 1-(2-oxo-1,2-dihydropyridine-1-carbothioyl)-1,2-dihydropyridin-2-one SMILES: O=C1C=CC=CN1C(=S)N1C=CC=CC1=O
| PubChem CID | 853162 |
|---|---|
| CAS | 102368-13-8 |
| Molecular Weight (g/mol) | 232.26 |
| MDL Number | MFCD00075238 |
| SMILES | O=C1C=CC=CN1C(=S)N1C=CC=CC1=O |
| IUPAC Name | 1-(2-oxo-1,2-dihydropyridine-1-carbothioyl)-1,2-dihydropyridin-2-one |
| InChI Key | KXMMNJQMGILZDB-UHFFFAOYSA-N |
| Molecular Formula | C11H8N2O2S |
4,4'-Stilbenedicarboxylic Acid 95.0+%, TCI America™
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CAS: 100-31-2 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.268 MDL Number: MFCD00013994 InChI Key: SBBQDUFLZGOASY-OWOJBTEDSA-N Synonym: 4,4'-stilbenedicarboxylic acid,stilbene-4,4'-dicarboxylic acid,4-e-2-4-carboxyphenyl ethenyl benzoic acid,4,4'-ethene-1,2-diyl dibenzoic acid,4,4'-stilbenedicarboxylicacid,z-4,4'-ethene-1,2-diyl dibenzoic acid,4-1e-2-4-carboxyphenyl vinyl benzoic acid,4,4'-ethene-1,2-diyldibenzoicacid,cis-stilbene-4,4'-dicarboxylic acid,4,4'-dicarboxystilbene PubChem CID: 5374688 IUPAC Name: 4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O
| PubChem CID | 5374688 |
|---|---|
| CAS | 100-31-2 |
| Molecular Weight (g/mol) | 268.268 |
| MDL Number | MFCD00013994 |
| SMILES | C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O |
| Synonym | 4,4'-stilbenedicarboxylic acid,stilbene-4,4'-dicarboxylic acid,4-e-2-4-carboxyphenyl ethenyl benzoic acid,4,4'-ethene-1,2-diyl dibenzoic acid,4,4'-stilbenedicarboxylicacid,z-4,4'-ethene-1,2-diyl dibenzoic acid,4-1e-2-4-carboxyphenyl vinyl benzoic acid,4,4'-ethene-1,2-diyldibenzoicacid,cis-stilbene-4,4'-dicarboxylic acid,4,4'-dicarboxystilbene |
| IUPAC Name | 4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid |
| InChI Key | SBBQDUFLZGOASY-OWOJBTEDSA-N |
| Molecular Formula | C16H12O4 |
4'-Aminoacetophenone 98.0+%, TCI America™
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CAS: 99-92-3 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007896 InChI Key: GPRYKVSEZCQIHD-UHFFFAOYSA-N Synonym: 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino PubChem CID: 7468 IUPAC Name: 1-(4-aminophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(N)C=C1
| PubChem CID | 7468 |
|---|---|
| CAS | 99-92-3 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00007896 |
| SMILES | CC(=O)C1=CC=C(N)C=C1 |
| Synonym | 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino |
| IUPAC Name | 1-(4-aminophenyl)ethan-1-one |
| InChI Key | GPRYKVSEZCQIHD-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
2-[2-(Dimethylamino)ethoxy]ethanol 98.0+%, TCI America™
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CAS: 1704-62-7 Molecular Formula: C6H15NO2 Molecular Weight (g/mol): 133.19 MDL Number: MFCD00059602 InChI Key: YSAANLSYLSUVHB-UHFFFAOYSA-N Synonym: Ethylene Glycol Mono[2-(dimethylamino)ethyl] Ether PubChem CID: 74348 IUPAC Name: 2-[2-(dimethylamino)ethoxy]ethan-1-ol SMILES: CN(C)CCOCCO
| PubChem CID | 74348 |
|---|---|
| CAS | 1704-62-7 |
| Molecular Weight (g/mol) | 133.19 |
| MDL Number | MFCD00059602 |
| SMILES | CN(C)CCOCCO |
| Synonym | Ethylene Glycol Mono[2-(dimethylamino)ethyl] Ether |
| IUPAC Name | 2-[2-(dimethylamino)ethoxy]ethan-1-ol |
| InChI Key | YSAANLSYLSUVHB-UHFFFAOYSA-N |
| Molecular Formula | C6H15NO2 |
2,4-Dinitroiodobenzene 98.0+%, TCI America™
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CAS: 709-49-9 Molecular Formula: C6H3IN2O4 Molecular Weight (g/mol): 294.004 MDL Number: MFCD00039738 InChI Key: FXMKXMJLXRTQSW-UHFFFAOYSA-N Synonym: 2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol PubChem CID: 69730 ChEBI: CHEBI:59000 IUPAC Name: 1-iodo-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I
| PubChem CID | 69730 |
|---|---|
| CAS | 709-49-9 |
| Molecular Weight (g/mol) | 294.004 |
| ChEBI | CHEBI:59000 |
| MDL Number | MFCD00039738 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I |
| Synonym | 2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol |
| IUPAC Name | 1-iodo-2,4-dinitrobenzene |
| InChI Key | FXMKXMJLXRTQSW-UHFFFAOYSA-N |
| Molecular Formula | C6H3IN2O4 |
Chlorodimethyl[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane 95.0+%, TCI America™
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CAS: 157499-19-9 Molecular Formula: C11H12ClF5Si Molecular Weight (g/mol): 302.744 MDL Number: MFCD00054911 InChI Key: OCIDTPKJLONLEN-UHFFFAOYSA-N Synonym: Dimethyl[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl Chloride, 1-[3-(Chlorodimethylsilyl)propyl]-2,3,4,5,6-pentafluorobenzene PubChem CID: 2760297 IUPAC Name: chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane SMILES: C[Si](C)(CCCC1=C(C(=C(C(=C1F)F)F)F)F)Cl
| PubChem CID | 2760297 |
|---|---|
| CAS | 157499-19-9 |
| Molecular Weight (g/mol) | 302.744 |
| MDL Number | MFCD00054911 |
| SMILES | C[Si](C)(CCCC1=C(C(=C(C(=C1F)F)F)F)F)Cl |
| Synonym | Dimethyl[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl Chloride, 1-[3-(Chlorodimethylsilyl)propyl]-2,3,4,5,6-pentafluorobenzene |
| IUPAC Name | chloro-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane |
| InChI Key | OCIDTPKJLONLEN-UHFFFAOYSA-N |
| Molecular Formula | C11H12ClF5Si |
1-Methyl-1-cyclohexanecarboxylic Acid 99.0+%, TCI America™
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CAS: 1123-25-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00001463 InChI Key: REHQLKUNRPCYEW-UHFFFAOYSA-N Synonym: 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference PubChem CID: 70744 IUPAC Name: 1-methylcyclohexane-1-carboxylic acid SMILES: CC1(CCCCC1)C(=O)O
| PubChem CID | 70744 |
|---|---|
| CAS | 1123-25-7 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00001463 |
| SMILES | CC1(CCCCC1)C(=O)O |
| Synonym | 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference |
| IUPAC Name | 1-methylcyclohexane-1-carboxylic acid |
| InChI Key | REHQLKUNRPCYEW-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
trans-2-Methylcyclohexanol 98.0+%, TCI America™
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CAS: 7443-52-9 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00064168 InChI Key: NDVWOBYBJYUSMF-RNFRBKRXSA-N Synonym: trans-2-methylcyclohexanol,cyclohexanol, 2-methyl-, trans,2-methylcyclohexanol trans,cyclohexanol, 2-methyl-, 1s,2r,2-methylcyclohexanol #,trans-2-methyl-cyclohexanol,1r,2r-2-methylcyclohexanol,2alpha-methylcyclohexan-1beta-ol,1r,2r-2-methyl-cyclohexanol PubChem CID: 24004 IUPAC Name: (1R,2R)-2-methylcyclohexan-1-ol SMILES: CC1CCCCC1O
| PubChem CID | 24004 |
|---|---|
| CAS | 7443-52-9 |
| Molecular Weight (g/mol) | 114.188 |
| MDL Number | MFCD00064168 |
| SMILES | CC1CCCCC1O |
| Synonym | trans-2-methylcyclohexanol,cyclohexanol, 2-methyl-, trans,2-methylcyclohexanol trans,cyclohexanol, 2-methyl-, 1s,2r,2-methylcyclohexanol #,trans-2-methyl-cyclohexanol,1r,2r-2-methylcyclohexanol,2alpha-methylcyclohexan-1beta-ol,1r,2r-2-methyl-cyclohexanol |
| IUPAC Name | (1R,2R)-2-methylcyclohexan-1-ol |
| InChI Key | NDVWOBYBJYUSMF-RNFRBKRXSA-N |
| Molecular Formula | C7H14O |
Veratryl Alcohol 98.0+%, TCI America™
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CAS: 93-03-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00004638 InChI Key: OEGPRYNGFWGMMV-UHFFFAOYSA-N Synonym: 3,4-dimethoxybenzyl alcohol,veratryl alcohol,3,4-dimethoxyphenyl methanol,benzenemethanol, 3,4-dimethoxy,3,4-dimethoxyphenylmethyl alcohol,veratrole alcohol,3,4-dimethoxybenzenemethanol,unii-mb4t4a711h,3,4-dimethoxyphenyl-methanol PubChem CID: 7118 ChEBI: CHEBI:62150 IUPAC Name: (3,4-dimethoxyphenyl)methanol SMILES: COC1=C(C=C(C=C1)CO)OC
| PubChem CID | 7118 |
|---|---|
| CAS | 93-03-8 |
| Molecular Weight (g/mol) | 168.192 |
| ChEBI | CHEBI:62150 |
| MDL Number | MFCD00004638 |
| SMILES | COC1=C(C=C(C=C1)CO)OC |
| Synonym | 3,4-dimethoxybenzyl alcohol,veratryl alcohol,3,4-dimethoxyphenyl methanol,benzenemethanol, 3,4-dimethoxy,3,4-dimethoxyphenylmethyl alcohol,veratrole alcohol,3,4-dimethoxybenzenemethanol,unii-mb4t4a711h,3,4-dimethoxyphenyl-methanol |
| IUPAC Name | (3,4-dimethoxyphenyl)methanol |
| InChI Key | OEGPRYNGFWGMMV-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
11-Bromo-1-undecanol 97.0+%, TCI America™
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CAS: 1611-56-9 Molecular Formula: C11H23BrO Molecular Weight (g/mol): 251.21 MDL Number: MFCD00004752 InChI Key: XFGANBYCJWQYBI-UHFFFAOYSA-N Synonym: 11-bromo-1-undecanol,11-bromoundecanol,1-undecanol, 11-bromo,1-bromo-11-hydroxyundecane,undecamethylene bromohydrin,11-bromoundecyl alcohol,11-bromo-l-undecanol,11-bromoundecane-1-ol,11-bromanylundecan-1-ol,acmc-1br3a PubChem CID: 74163 IUPAC Name: 11-bromoundecan-1-ol SMILES: OCCCCCCCCCCCBr
| PubChem CID | 74163 |
|---|---|
| CAS | 1611-56-9 |
| Molecular Weight (g/mol) | 251.21 |
| MDL Number | MFCD00004752 |
| SMILES | OCCCCCCCCCCCBr |
| Synonym | 11-bromo-1-undecanol,11-bromoundecanol,1-undecanol, 11-bromo,1-bromo-11-hydroxyundecane,undecamethylene bromohydrin,11-bromoundecyl alcohol,11-bromo-l-undecanol,11-bromoundecane-1-ol,11-bromanylundecan-1-ol,acmc-1br3a |
| IUPAC Name | 11-bromoundecan-1-ol |
| InChI Key | XFGANBYCJWQYBI-UHFFFAOYSA-N |
| Molecular Formula | C11H23BrO |
2-Bromo-3-hydroxypyridine 98.0+%, TCI America™
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CAS: 6602-32-0 Molecular Formula: C5H4BrNO Molecular Weight (g/mol): 174.00 MDL Number: MFCD00006220 InChI Key: YKHQFTANTNMYPP-UHFFFAOYSA-N Synonym: 2-bromo-3-hydroxypyridine,2-bromo-3-pyridinol,3-pyridinol, 2-bromo,2-bromo-pyridin-3-ol,3-hydroxy-2-bromopyridine,unii-9dab85h359,2-bromo-3-hydroxy pyridine,2-bromo-3-hydroxy-pyridine,2-bromo-3-hydroxypyridine 2-bromo-3-pyridinol,2-bromo3-pyridinol PubChem CID: 23070 IUPAC Name: 2-bromopyridin-3-ol SMILES: OC1=CC=CN=C1Br
| PubChem CID | 23070 |
|---|---|
| CAS | 6602-32-0 |
| Molecular Weight (g/mol) | 174.00 |
| MDL Number | MFCD00006220 |
| SMILES | OC1=CC=CN=C1Br |
| Synonym | 2-bromo-3-hydroxypyridine,2-bromo-3-pyridinol,3-pyridinol, 2-bromo,2-bromo-pyridin-3-ol,3-hydroxy-2-bromopyridine,unii-9dab85h359,2-bromo-3-hydroxy pyridine,2-bromo-3-hydroxy-pyridine,2-bromo-3-hydroxypyridine 2-bromo-3-pyridinol,2-bromo3-pyridinol |
| IUPAC Name | 2-bromopyridin-3-ol |
| InChI Key | YKHQFTANTNMYPP-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrNO |
Diethyl (4-Nitrobenzyl)phosphonate 97.0+%, TCI America™
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CAS: 2609-49-6 Molecular Formula: C11H16NO5P Molecular Weight (g/mol): 273.225 MDL Number: MFCD00047747 InChI Key: FORMFFDDQMCTCT-UHFFFAOYSA-N Synonym: diethyl 4-nitrobenzylphosphonate,diethyl 4-nitrobenzyl phosphonate,diethyl 4-nitrophenyl methylphosphonate,1-diethoxyphosphorylmethyl-4-nitro-benzene,1-diethoxyphosphorylmethyl-4-nitrobenzene,phosphonic acid, 4-nitrophenyl methyl-, diethyl ester,phosphonic acid, p-4-nitrophenyl methyl-, diethyl ester,zlchem 660,diethyl4-nitrobenzylphosphonate PubChem CID: 256065 IUPAC Name: 1-(diethoxyphosphorylmethyl)-4-nitrobenzene SMILES: CCOP(=O)(CC1=CC=C(C=C1)[N+](=O)[O-])OCC
| PubChem CID | 256065 |
|---|---|
| CAS | 2609-49-6 |
| Molecular Weight (g/mol) | 273.225 |
| MDL Number | MFCD00047747 |
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)[N+](=O)[O-])OCC |
| Synonym | diethyl 4-nitrobenzylphosphonate,diethyl 4-nitrobenzyl phosphonate,diethyl 4-nitrophenyl methylphosphonate,1-diethoxyphosphorylmethyl-4-nitro-benzene,1-diethoxyphosphorylmethyl-4-nitrobenzene,phosphonic acid, 4-nitrophenyl methyl-, diethyl ester,phosphonic acid, p-4-nitrophenyl methyl-, diethyl ester,zlchem 660,diethyl4-nitrobenzylphosphonate |
| IUPAC Name | 1-(diethoxyphosphorylmethyl)-4-nitrobenzene |
| InChI Key | FORMFFDDQMCTCT-UHFFFAOYSA-N |
| Molecular Formula | C11H16NO5P |
Ficin from Fig Tree Latex, TCI America™
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CAS: 9001-33-6 MDL Number: MFCD00081597
| CAS | 9001-33-6 |
|---|---|
| MDL Number | MFCD00081597 |
2-Chloro-5-(trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™
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CAS: 50528-86-4 Molecular Formula: C8H3ClF3NO Molecular Weight (g/mol): 221.563 MDL Number: MFCD00037029 InChI Key: WEPYOPYMWSHRIW-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol PubChem CID: 2733263 IUPAC Name: 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl
| PubChem CID | 2733263 |
|---|---|
| CAS | 50528-86-4 |
| Molecular Weight (g/mol) | 221.563 |
| MDL Number | MFCD00037029 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl |
| Synonym | 2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol |
| IUPAC Name | 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene |
| InChI Key | WEPYOPYMWSHRIW-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClF3NO |