Benzenoids
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4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine 98.0+%, TCI America™
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CAS: 364794-79-6 Molecular Formula: C17H26BNO3 Molecular Weight (g/mol): 303.21 MDL Number: MFCD04974052 InChI Key: JOIXYIWXEYXHHG-UHFFFAOYSA-N Synonym: 4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane PubChem CID: 2795502 IUPAC Name: 4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1
| PubChem CID | 2795502 |
|---|---|
| CAS | 364794-79-6 |
| Molecular Weight (g/mol) | 303.21 |
| MDL Number | MFCD04974052 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1 |
| Synonym | 4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane |
| IUPAC Name | 4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine |
| InChI Key | JOIXYIWXEYXHHG-UHFFFAOYSA-N |
| Molecular Formula | C17H26BNO3 |
4'-(Benzyloxy)benzylidene-4-fluoroaniline 98.0+%, TCI America™
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CAS: 70627-52-0 Molecular Formula: C20H16FNO Molecular Weight (g/mol): 305.35 MDL Number: MFCD00017951 InChI Key: IWNBEFDVKWCBFY-UHFFFAOYSA-N PubChem CID: 791783 IUPAC Name: 1-[4-(benzyloxy)phenyl]-N-(4-fluorophenyl)methanimine SMILES: FC1=CC=C(C=C1)N=CC1=CC=C(OCC2=CC=CC=C2)C=C1
| PubChem CID | 791783 |
|---|---|
| CAS | 70627-52-0 |
| Molecular Weight (g/mol) | 305.35 |
| MDL Number | MFCD00017951 |
| SMILES | FC1=CC=C(C=C1)N=CC1=CC=C(OCC2=CC=CC=C2)C=C1 |
| IUPAC Name | 1-[4-(benzyloxy)phenyl]-N-(4-fluorophenyl)methanimine |
| InChI Key | IWNBEFDVKWCBFY-UHFFFAOYSA-N |
| Molecular Formula | C20H16FNO |
Benzyl 2-Bromoethyl Ether 97.0+%, TCI America™
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CAS: 1462-37-9 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD01321307 InChI Key: FWOHDAGPWDEWIB-UHFFFAOYSA-N Synonym: benzyl 2-bromoethyl ether,2-bromoethoxy methyl benzene,2-benzyloxy-1-bromoethane,benzyloxyethyl bromide,benzene, 2-bromoethoxy methyl,1-bromo-2-benzyloxyethane,2-bromoethoxymethyl benzene,2-bromo-ethoxymethyl-benzene PubChem CID: 73833 IUPAC Name: 2-bromoethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCCBr
| PubChem CID | 73833 |
|---|---|
| CAS | 1462-37-9 |
| Molecular Weight (g/mol) | 215.09 |
| MDL Number | MFCD01321307 |
| SMILES | C1=CC=C(C=C1)COCCBr |
| Synonym | benzyl 2-bromoethyl ether,2-bromoethoxy methyl benzene,2-benzyloxy-1-bromoethane,benzyloxyethyl bromide,benzene, 2-bromoethoxy methyl,1-bromo-2-benzyloxyethane,2-bromoethoxymethyl benzene,2-bromo-ethoxymethyl-benzene |
| IUPAC Name | 2-bromoethoxymethylbenzene |
| InChI Key | FWOHDAGPWDEWIB-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO |
3-Fluorobenzoyl Chloride 97.0+%, TCI America™
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CAS: 1711-07-5 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00000670 InChI Key: SYVNVEGIRVXRQH-UHFFFAOYSA-N Synonym: m-fluorobenzoyl chloride,benzoyl chloride, 3-fluoro,benzoyl chloride, m-fluoro,m-fluorobenzoic acid chloride,3-fluorobenzoic acid chloride,3-fluorobenzoylchloride,gvr cf,m-fluorobenzoylchloride,pubchem19742,m-fluoro-benzoylchloride PubChem CID: 74376 IUPAC Name: 3-fluorobenzoyl chloride SMILES: C1=CC(=CC(=C1)F)C(=O)Cl
| PubChem CID | 74376 |
|---|---|
| CAS | 1711-07-5 |
| Molecular Weight (g/mol) | 158.556 |
| MDL Number | MFCD00000670 |
| SMILES | C1=CC(=CC(=C1)F)C(=O)Cl |
| Synonym | m-fluorobenzoyl chloride,benzoyl chloride, 3-fluoro,benzoyl chloride, m-fluoro,m-fluorobenzoic acid chloride,3-fluorobenzoic acid chloride,3-fluorobenzoylchloride,gvr cf,m-fluorobenzoylchloride,pubchem19742,m-fluoro-benzoylchloride |
| IUPAC Name | 3-fluorobenzoyl chloride |
| InChI Key | SYVNVEGIRVXRQH-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
Fluoxetine Hydrochloride 98.0+%, TCI America™
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CAS: 56296-78-7 Molecular Formula: C17H19ClF3NO Molecular Weight (g/mol): 345.79 MDL Number: MFCD00214288 InChI Key: GIYXAJPCNFJEHY-UHFFFAOYSA-N Synonym: fluoxetine hydrochloride,prozac,fluoxetine hcl,sarafem,flunirin,fluoxeren,adofen,fluctin,lovan PubChem CID: 62857 IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
| PubChem CID | 62857 |
|---|---|
| CAS | 56296-78-7 |
| Molecular Weight (g/mol) | 345.79 |
| MDL Number | MFCD00214288 |
| SMILES | CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl |
| Synonym | fluoxetine hydrochloride,prozac,fluoxetine hcl,sarafem,flunirin,fluoxeren,adofen,fluctin,lovan |
| IUPAC Name | N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride |
| InChI Key | GIYXAJPCNFJEHY-UHFFFAOYSA-N |
| Molecular Formula | C17H19ClF3NO |
N,N-Dimethyl-m-toluidine 97.0+%, TCI America™
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CAS: 121-72-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008305 InChI Key: CWOMTHDOJCARBY-UHFFFAOYSA-N Synonym: n,n-dimethyl-m-toluidine,benzenamine, n,n,3-trimethyl,dimethyl-m-toluidine,m-methyl-n,n-dimethylaniline,n,n-dimethyl-m-methylaniline,m,n,n-trimethylaniline,n,n-dimethyl-3-methylaniline,dimetil-m-toluidina,n,n,3-trimethylbenzenamine,benzene, 1-dimethylamino-3-methyl PubChem CID: 8488 IUPAC Name: N,N,3-trimethylaniline SMILES: CN(C)C1=CC=CC(C)=C1
| PubChem CID | 8488 |
|---|---|
| CAS | 121-72-2 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008305 |
| SMILES | CN(C)C1=CC=CC(C)=C1 |
| Synonym | n,n-dimethyl-m-toluidine,benzenamine, n,n,3-trimethyl,dimethyl-m-toluidine,m-methyl-n,n-dimethylaniline,n,n-dimethyl-m-methylaniline,m,n,n-trimethylaniline,n,n-dimethyl-3-methylaniline,dimetil-m-toluidina,n,n,3-trimethylbenzenamine,benzene, 1-dimethylamino-3-methyl |
| IUPAC Name | N,N,3-trimethylaniline |
| InChI Key | CWOMTHDOJCARBY-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
5'-Iodo-m-terphenyl 98.0+%, TCI America™
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CAS: 87666-86-2 Molecular Formula: C18H13I Molecular Weight (g/mol): 356.206 MDL Number: MFCD26131291 InChI Key: LICOFADCKUKHJI-UHFFFAOYSA-N Synonym: 1-Iodo-3,5-diphenylbenzene, 5′C-Iodo-1,1′C:3′C,1′C′C-terphenyl PubChem CID: 13067230 IUPAC Name: 1-iodo-3,5-diphenylbenzene SMILES: C1=CC=C(C=C1)C2=CC(=CC(=C2)I)C3=CC=CC=C3
| PubChem CID | 13067230 |
|---|---|
| CAS | 87666-86-2 |
| Molecular Weight (g/mol) | 356.206 |
| MDL Number | MFCD26131291 |
| SMILES | C1=CC=C(C=C1)C2=CC(=CC(=C2)I)C3=CC=CC=C3 |
| Synonym | 1-Iodo-3,5-diphenylbenzene, 5′C-Iodo-1,1′C:3′C,1′C′C-terphenyl |
| IUPAC Name | 1-iodo-3,5-diphenylbenzene |
| InChI Key | LICOFADCKUKHJI-UHFFFAOYSA-N |
| Molecular Formula | C18H13I |
Fmoc-D-Arg(Pbf)-OH 98.0+%, TCI America™
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CAS: 187618-60-6 Molecular Formula: C34H40N4O7S Molecular Weight (g/mol): 648.78 MDL Number: MFCD00237010 InChI Key: HNICLNKVURBTKV-UHFFFAOYNA-N Synonym: fmoc-d-arg pbf-oh,r-2-9h-fluoren-9-yl methoxy carbonyl amino-5-3-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl sulfonyl guanidino pentanoic acid,2r-2-9h-fluoren-9-yl methoxy carbonyl amino-5-n'-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl sulfonyl carbamimidamido pentanoic acid,2r-2-9h-fluoren-9-ylmethoxy carbonyl amino-5-n'-2,2,4,6,7-pentamethyl-3h-1-benzofuran-5-ylsulfonyl carbamimidamido pentanoic acid,ambotzfaa1305,fmoc-darg pbf-oh,pubchem12397,na-fmoc-n?-pbf-d-arginine,fmoc-n-guanidino-pbf-d-arginine,nalpha-fmoc-nomega-pbf-d-arginine PubChem CID: 46737258 IUPAC Name: 5-{[amino(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonamido)methylidene]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid SMILES: CC1=C2CC(C)(C)OC2=C(C)C(C)=C1S(=O)(=O)NC(N)=NCCCC(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O
| PubChem CID | 46737258 |
|---|---|
| CAS | 187618-60-6 |
| Molecular Weight (g/mol) | 648.78 |
| MDL Number | MFCD00237010 |
| SMILES | CC1=C2CC(C)(C)OC2=C(C)C(C)=C1S(=O)(=O)NC(N)=NCCCC(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O |
| Synonym | fmoc-d-arg pbf-oh,r-2-9h-fluoren-9-yl methoxy carbonyl amino-5-3-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl sulfonyl guanidino pentanoic acid,2r-2-9h-fluoren-9-yl methoxy carbonyl amino-5-n'-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl sulfonyl carbamimidamido pentanoic acid,2r-2-9h-fluoren-9-ylmethoxy carbonyl amino-5-n'-2,2,4,6,7-pentamethyl-3h-1-benzofuran-5-ylsulfonyl carbamimidamido pentanoic acid,ambotzfaa1305,fmoc-darg pbf-oh,pubchem12397,na-fmoc-n?-pbf-d-arginine,fmoc-n-guanidino-pbf-d-arginine,nalpha-fmoc-nomega-pbf-d-arginine |
| IUPAC Name | 5-{[amino(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonamido)methylidene]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid |
| InChI Key | HNICLNKVURBTKV-UHFFFAOYNA-N |
| Molecular Formula | C34H40N4O7S |
2,2'-(2-Vinylanthracene-9,10-diylidene)dimalononitrile 98.0+%, TCI America™
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CAS: 1612793-07-3 Molecular Formula: C22H10N4 Molecular Weight (g/mol): 330.35 InChI Key: SUTLXPZYDBOIRV-UHFFFAOYSA-N Synonym: 9,10-Bis(dicyanomethylene)-2-vinylanthracene PubChem CID: 91972128 IUPAC Name: 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile SMILES: C=CC1=CC2=C(C=C1)C(=C(C#N)C#N)C3=CC=CC=C3C2=C(C#N)C#N
| PubChem CID | 91972128 |
|---|---|
| CAS | 1612793-07-3 |
| Molecular Weight (g/mol) | 330.35 |
| SMILES | C=CC1=CC2=C(C=C1)C(=C(C#N)C#N)C3=CC=CC=C3C2=C(C#N)C#N |
| Synonym | 9,10-Bis(dicyanomethylene)-2-vinylanthracene |
| IUPAC Name | 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile |
| InChI Key | SUTLXPZYDBOIRV-UHFFFAOYSA-N |
| Molecular Formula | C22H10N4 |
2-(Methylthio)phenol 97.0+%, TCI America™
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CAS: 1073-29-6 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.20 MDL Number: MFCD00002211 InChI Key: SOOARYARZPXNAL-UHFFFAOYSA-N Synonym: 2-methylthio phenol,2-hydroxythioanisole,2-methylsulfanyl phenol,2-hydroxy thioanisole,phenol, 2-methylthio,o-hydroxythioanisole,o-methylthio phenol,phenol, o-methylthio,2-methylmercaptophenol,2-methylmercapto phenol PubChem CID: 61261 IUPAC Name: 2-(methylsulfanyl)phenol SMILES: CSC1=CC=CC=C1O
| PubChem CID | 61261 |
|---|---|
| CAS | 1073-29-6 |
| Molecular Weight (g/mol) | 140.20 |
| MDL Number | MFCD00002211 |
| SMILES | CSC1=CC=CC=C1O |
| Synonym | 2-methylthio phenol,2-hydroxythioanisole,2-methylsulfanyl phenol,2-hydroxy thioanisole,phenol, 2-methylthio,o-hydroxythioanisole,o-methylthio phenol,phenol, o-methylthio,2-methylmercaptophenol,2-methylmercapto phenol |
| IUPAC Name | 2-(methylsulfanyl)phenol |
| InChI Key | SOOARYARZPXNAL-UHFFFAOYSA-N |
| Molecular Formula | C7H8OS |
1,8-Bis(diphenylphosphino)naphthalene 97.0+%, TCI America™
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CAS: 153725-04-3 Molecular Formula: C34H26P2 Molecular Weight (g/mol): 496.53 MDL Number: MFCD04117326 InChI Key: QOXZKPURCFVBRR-UHFFFAOYSA-N PubChem CID: 2756729 IUPAC Name: [8-(diphenylphosphanyl)naphthalen-1-yl]diphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC2=CC=CC(P(C3=CC=CC=C3)C3=CC=CC=C3)=C12
| PubChem CID | 2756729 |
|---|---|
| CAS | 153725-04-3 |
| Molecular Weight (g/mol) | 496.53 |
| MDL Number | MFCD04117326 |
| SMILES | C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC2=CC=CC(P(C3=CC=CC=C3)C3=CC=CC=C3)=C12 |
| IUPAC Name | [8-(diphenylphosphanyl)naphthalen-1-yl]diphenylphosphane |
| InChI Key | QOXZKPURCFVBRR-UHFFFAOYSA-N |
| Molecular Formula | C34H26P2 |
Methyl Caffeate 98.0+%, TCI America™
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CAS: 3843-74-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00210468 InChI Key: OCNYGKNIVPVPPX-HWKANZROSA-N Synonym: methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 PubChem CID: 689075 ChEBI: CHEBI:6856 IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O
| PubChem CID | 689075 |
|---|---|
| CAS | 3843-74-1 |
| Molecular Weight (g/mol) | 194.186 |
| ChEBI | CHEBI:6856 |
| MDL Number | MFCD00210468 |
| SMILES | COC(=O)C=CC1=CC(=C(C=C1)O)O |
| Synonym | methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 |
| IUPAC Name | methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| InChI Key | OCNYGKNIVPVPPX-HWKANZROSA-N |
| Molecular Formula | C10H10O4 |
1-Chloro-3,4-difluorobenzene 98.0+%, TCI America™
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Methyl 2-(Trifluoromethyl)benzoate 98.0+%, TCI America™
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CAS: 344-96-7 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00236050 InChI Key: JLCAMDSWNZBTEE-UHFFFAOYSA-N Synonym: methyl 2-trifluoromethyl benzoate,benzoic acid, trifluoromethyl-, methyl ester,acmc-1ahfp,methyl o-trifluoromethylbenzoate,jlcamdswnzbtee-uhfffaoysa,methyl-2-trifluoromethyl benzoate,2-trifluoromethylbenzoic acid methyl ester,2-trifluoromethyl-benzoic acid methyl ester,2-trifluoromethyl benzoic acid methyl ester,methyl alpha,alpha,alpha-trifluoro-o-toluate PubChem CID: 2775578 IUPAC Name: methyl 2-(trifluoromethyl)benzoate SMILES: COC(=O)C1=CC=CC=C1C(F)(F)F
| PubChem CID | 2775578 |
|---|---|
| CAS | 344-96-7 |
| Molecular Weight (g/mol) | 204.148 |
| MDL Number | MFCD00236050 |
| SMILES | COC(=O)C1=CC=CC=C1C(F)(F)F |
| Synonym | methyl 2-trifluoromethyl benzoate,benzoic acid, trifluoromethyl-, methyl ester,acmc-1ahfp,methyl o-trifluoromethylbenzoate,jlcamdswnzbtee-uhfffaoysa,methyl-2-trifluoromethyl benzoate,2-trifluoromethylbenzoic acid methyl ester,2-trifluoromethyl-benzoic acid methyl ester,2-trifluoromethyl benzoic acid methyl ester,methyl alpha,alpha,alpha-trifluoro-o-toluate |
| IUPAC Name | methyl 2-(trifluoromethyl)benzoate |
| InChI Key | JLCAMDSWNZBTEE-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
2-(Trifluoromethoxy)benzenesulfonamide 98.0+%, TCI America™
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CAS: 37526-59-3 Molecular Formula: C7H6F3NO3S Molecular Weight (g/mol): 241.18 MDL Number: MFCD01320751 InChI Key: HIFGQHGWMTZMOH-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy benzenesulfonamide,benzenesulfonamide, 2-trifluoromethoxy,unii-3dq25354mb,2-trifluoromethoxy benzenesulphonamide,2-trifluoromethoxy benzene-1-sulfonamide,acmc-209itm,dsstox_cid_24930,dsstox_rid_80595,dsstox_gsid_44930,ksc222c3t PubChem CID: 2777208 IUPAC Name: 2-(trifluoromethoxy)benzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777208 |
|---|---|
| CAS | 37526-59-3 |
| Molecular Weight (g/mol) | 241.18 |
| MDL Number | MFCD01320751 |
| SMILES | NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F |
| Synonym | 2-trifluoromethoxy benzenesulfonamide,benzenesulfonamide, 2-trifluoromethoxy,unii-3dq25354mb,2-trifluoromethoxy benzenesulphonamide,2-trifluoromethoxy benzene-1-sulfonamide,acmc-209itm,dsstox_cid_24930,dsstox_rid_80595,dsstox_gsid_44930,ksc222c3t |
| IUPAC Name | 2-(trifluoromethoxy)benzene-1-sulfonamide |
| InChI Key | HIFGQHGWMTZMOH-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3NO3S |