Benzenoids
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N-(4-Bromophenyl)benzenesulfonamide, 97%
CAS: 16468-97-6 Molecular Formula: C12H10BrNO2S Molecular Weight (g/mol): 312.181 MDL Number: MFCD00159375 InChI Key: HHLFFQAEABRCOJ-UHFFFAOYSA-N Synonym: n-4-bromophenyl benzenesulfonamide,benzenesulfonamide, n-4-bromophenyl,4'-bromobenzenesulfonanilide,benzenesulfonanilide, 4'-bromo,4-bromophenyl phenylsulfonyl amine,4/'-bromobenzenesulfonanilide,n-p-bromophenylbenzenesulphonamide,n-4-bromophenyl benzenesulfonamide # PubChem CID: 293101 IUPAC Name: N-(4-bromophenyl)benzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Br
| PubChem CID | 293101 |
|---|---|
| CAS | 16468-97-6 |
| Molecular Weight (g/mol) | 312.181 |
| MDL Number | MFCD00159375 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Br |
| Synonym | n-4-bromophenyl benzenesulfonamide,benzenesulfonamide, n-4-bromophenyl,4'-bromobenzenesulfonanilide,benzenesulfonanilide, 4'-bromo,4-bromophenyl phenylsulfonyl amine,4/'-bromobenzenesulfonanilide,n-p-bromophenylbenzenesulphonamide,n-4-bromophenyl benzenesulfonamide # |
| IUPAC Name | N-(4-bromophenyl)benzenesulfonamide |
| InChI Key | HHLFFQAEABRCOJ-UHFFFAOYSA-N |
| Molecular Formula | C12H10BrNO2S |
4-Amino-2-fluoro-5-methoxybenzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 1326283-60-6 Molecular Formula: C13H19BFNO3 Molecular Weight (g/mol): 267.11 MDL Number: MFCD22419265 InChI Key: JWACNMHKJHEWAQ-UHFFFAOYSA-N Synonym: 4-amino-2-fluoro-5-methoxybenzeneboronic acid pinacol ester,5-fluoro-2-methoxy-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline PubChem CID: 67363295 IUPAC Name: 5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: COC1=C(N)C=C(F)C(=C1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 67363295 |
|---|---|
| CAS | 1326283-60-6 |
| Molecular Weight (g/mol) | 267.11 |
| MDL Number | MFCD22419265 |
| SMILES | COC1=C(N)C=C(F)C(=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 4-amino-2-fluoro-5-methoxybenzeneboronic acid pinacol ester,5-fluoro-2-methoxy-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline |
| IUPAC Name | 5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI Key | JWACNMHKJHEWAQ-UHFFFAOYSA-N |
| Molecular Formula | C13H19BFNO3 |
2-Amino-5-methoxybenzonitrile, 95%
CAS: 23842-82-2 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.17 MDL Number: MFCD05149280 InChI Key: SRWMPAZUWXLIPG-UHFFFAOYSA-N PubChem CID: 3513002 IUPAC Name: 2-amino-5-methoxybenzonitrile SMILES: COC1=CC(C#N)=C(N)C=C1
| PubChem CID | 3513002 |
|---|---|
| CAS | 23842-82-2 |
| Molecular Weight (g/mol) | 148.17 |
| MDL Number | MFCD05149280 |
| SMILES | COC1=CC(C#N)=C(N)C=C1 |
| IUPAC Name | 2-amino-5-methoxybenzonitrile |
| InChI Key | SRWMPAZUWXLIPG-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O |
3-Methoxyphenyl isocyanate, 99%
CAS: 18908-07-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00002019 InChI Key: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC Name: 1-isocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=O
| PubChem CID | 87843 |
|---|---|
| CAS | 18908-07-1 |
| Molecular Weight (g/mol) | 149.15 |
| MDL Number | MFCD00002019 |
| SMILES | COC1=CC=CC(=C1)N=C=O |
| Synonym | 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate |
| IUPAC Name | 1-isocyanato-3-methoxybenzene |
| InChI Key | NPOVTGVGOBJZPY-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2 |
2,3,4,5,6-Pentafluorobenzeneboronic acid, 97%
CAS: 1582-24-7 Molecular Formula: C6H2BF5O2 Molecular Weight (g/mol): 211.88 MDL Number: MFCD01074663 InChI Key: VASOMTXTRMYSKD-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzeneboronic acid,pentafluorophenylboronic acid,perfluorophenylboronic acid,pentafluorobenzeneboronic acid,boronic acid, pentafluorophenyl,pentafluorophenyl boronic acid,2,3,4,5,6-pentafluorophenyl boronic acid,boronic acid, b-2,3,4,5,6-pentafluorophenyl,pubchem22760,rarechem ah pb 0049 PubChem CID: 2775922 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)boronic acid SMILES: OB(O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 2775922 |
|---|---|
| CAS | 1582-24-7 |
| Molecular Weight (g/mol) | 211.88 |
| MDL Number | MFCD01074663 |
| SMILES | OB(O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | 2,3,4,5,6-pentafluorobenzeneboronic acid,pentafluorophenylboronic acid,perfluorophenylboronic acid,pentafluorobenzeneboronic acid,boronic acid, pentafluorophenyl,pentafluorophenyl boronic acid,2,3,4,5,6-pentafluorophenyl boronic acid,boronic acid, b-2,3,4,5,6-pentafluorophenyl,pubchem22760,rarechem ah pb 0049 |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)boronic acid |
| InChI Key | VASOMTXTRMYSKD-UHFFFAOYSA-N |
| Molecular Formula | C6H2BF5O2 |
3-Chloro-4-fluorothiobenzamide, 97%
CAS: 130560-97-3 Molecular Formula: C7H5ClFNS Molecular Weight (g/mol): 189.632 MDL Number: MFCD00042478 InChI Key: RSGPCKCTKDCMRR-UHFFFAOYSA-N Synonym: 3-chloro-4-fluorothiobenzamide,3-chloro-4-fluorobenzothioamide,3-chloro-4-fluorobenzene-1-carbothioamide,benzenecarbothioamide,3-chloro-4-fluoro,amino 3-chloro-4-fluorophenyl methane-1-thione,acmc-1ccr0,3-chloro-4-fluoro-thiobenzamide,#,3-chloranyl-4-fluoranyl-benzenecarbothioamide,benzenecarbothioamide, 3-chloro-4-fluoro-9ci PubChem CID: 2779521 IUPAC Name: 3-chloro-4-fluorobenzenecarbothioamide SMILES: C1=CC(=C(C=C1C(=S)N)Cl)F
| PubChem CID | 2779521 |
|---|---|
| CAS | 130560-97-3 |
| Molecular Weight (g/mol) | 189.632 |
| MDL Number | MFCD00042478 |
| SMILES | C1=CC(=C(C=C1C(=S)N)Cl)F |
| Synonym | 3-chloro-4-fluorothiobenzamide,3-chloro-4-fluorobenzothioamide,3-chloro-4-fluorobenzene-1-carbothioamide,benzenecarbothioamide,3-chloro-4-fluoro,amino 3-chloro-4-fluorophenyl methane-1-thione,acmc-1ccr0,3-chloro-4-fluoro-thiobenzamide,#,3-chloranyl-4-fluoranyl-benzenecarbothioamide,benzenecarbothioamide, 3-chloro-4-fluoro-9ci |
| IUPAC Name | 3-chloro-4-fluorobenzenecarbothioamide |
| InChI Key | RSGPCKCTKDCMRR-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClFNS |
3-(2-Fluorophenyl)-1H-pyrazole, 98%
CAS: 149739-32-2 Molecular Formula: C9H7FN2 Molecular Weight (g/mol): 162.17 MDL Number: MFCD00973917 InChI Key: PZNGOFHHOGORBU-UHFFFAOYSA-N Synonym: 3-2-fluorophenyl-1h-pyrazole,3-2-fluorophenyl pyrazole,1h-pyrazole, 3-2-fluorophenyl,1h-pyrazole,3-2-fluorophenyl,5-2-fluorophenyl-1h-pyrazole,3-2-fluoro-phenyl-1h-pyrazole,3-2-fluorophenyl-2h-pyrazole PubChem CID: 2774734 IUPAC Name: 5-(2-fluorophenyl)-1H-pyrazole SMILES: FC1=CC=CC=C1C1=CC=NN1
| PubChem CID | 2774734 |
|---|---|
| CAS | 149739-32-2 |
| Molecular Weight (g/mol) | 162.17 |
| MDL Number | MFCD00973917 |
| SMILES | FC1=CC=CC=C1C1=CC=NN1 |
| Synonym | 3-2-fluorophenyl-1h-pyrazole,3-2-fluorophenyl pyrazole,1h-pyrazole, 3-2-fluorophenyl,1h-pyrazole,3-2-fluorophenyl,5-2-fluorophenyl-1h-pyrazole,3-2-fluoro-phenyl-1h-pyrazole,3-2-fluorophenyl-2h-pyrazole |
| IUPAC Name | 5-(2-fluorophenyl)-1H-pyrazole |
| InChI Key | PZNGOFHHOGORBU-UHFFFAOYSA-N |
| Molecular Formula | C9H7FN2 |
3-Fluorobenzonitrile, 98%
CAS: 403-54-3 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001797 InChI Key: JZTPKAROPNTQQV-UHFFFAOYSA-N Synonym: benzonitrile, 3-fluoro,m-fluorobenzonitrile,m-cyanofluorobenzene,benzonitrile, m-fluoro,3-fluoro-benzonitrile,3-fluorobenzenecarbonitrile,3-cyanofluorobenzene,1-cyano-3-fluorobenzene,ncr cf,m-fluorobenzonitile PubChem CID: 67880 IUPAC Name: 3-fluorobenzonitrile SMILES: FC1=CC=CC(=C1)C#N
| PubChem CID | 67880 |
|---|---|
| CAS | 403-54-3 |
| Molecular Weight (g/mol) | 121.11 |
| MDL Number | MFCD00001797 |
| SMILES | FC1=CC=CC(=C1)C#N |
| Synonym | benzonitrile, 3-fluoro,m-fluorobenzonitrile,m-cyanofluorobenzene,benzonitrile, m-fluoro,3-fluoro-benzonitrile,3-fluorobenzenecarbonitrile,3-cyanofluorobenzene,1-cyano-3-fluorobenzene,ncr cf,m-fluorobenzonitile |
| IUPAC Name | 3-fluorobenzonitrile |
| InChI Key | JZTPKAROPNTQQV-UHFFFAOYSA-N |
| Molecular Formula | C7H4FN |
3-Fluorophenethyl alcohol, 99%, Thermo Scientific Chemicals
CAS: 52059-53-7 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.16 MDL Number: MFCD00045998 InChI Key: MZNBGEKFZCWVES-UHFFFAOYSA-N Synonym: 2-3-fluorophenyl ethanol,3-fluorophenethyl alcohol,2-3-fluorophenyl ethan-1-ol,benzeneethanol, 3-fluoro,3-fluorophenethylalcohol,2-3-fluorophenyl ethylalcohol,3-fluorobenzenethanol,3-fluorophenylethanol,3-fluorobenzeneethanol,acmc-209kxl PubChem CID: 573132 IUPAC Name: 2-(3-fluorophenyl)ethanol SMILES: OCCC1=CC=CC(F)=C1
| PubChem CID | 573132 |
|---|---|
| CAS | 52059-53-7 |
| Molecular Weight (g/mol) | 140.16 |
| MDL Number | MFCD00045998 |
| SMILES | OCCC1=CC=CC(F)=C1 |
| Synonym | 2-3-fluorophenyl ethanol,3-fluorophenethyl alcohol,2-3-fluorophenyl ethan-1-ol,benzeneethanol, 3-fluoro,3-fluorophenethylalcohol,2-3-fluorophenyl ethylalcohol,3-fluorobenzenethanol,3-fluorophenylethanol,3-fluorobenzeneethanol,acmc-209kxl |
| IUPAC Name | 2-(3-fluorophenyl)ethanol |
| InChI Key | MZNBGEKFZCWVES-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO |
2,3,5,6-Tetrafluorobenzeneboronic acid, 99%
CAS: 511295-01-5 Molecular Formula: C6H3BF4O2 Molecular Weight (g/mol): 193.89 MDL Number: MFCD04039310 InChI Key: SORPNEUIIZJCBF-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluorophenyl boronic acid,2,3,5,6-tetrafluorobenzeneboronic acid,boronic acid, 2,3,5,6-tetrafluorophenyl,boronic acid, b-2,3,5,6-tetrafluorophenyl,acmc-209ks0,2,3,5,6-tetrafluorophenylboranic acid,2,3,5,6-tetrakis fluoranyl phenyl boronic acid,boronic acid, 2,3,5,6-tetrafluorophenyl-9ci PubChem CID: 2783275 IUPAC Name: (2,3,5,6-tetrafluorophenyl)boronic acid SMILES: OB(O)C1=C(F)C(F)=CC(F)=C1F
| PubChem CID | 2783275 |
|---|---|
| CAS | 511295-01-5 |
| Molecular Weight (g/mol) | 193.89 |
| MDL Number | MFCD04039310 |
| SMILES | OB(O)C1=C(F)C(F)=CC(F)=C1F |
| Synonym | 2,3,5,6-tetrafluorophenyl boronic acid,2,3,5,6-tetrafluorobenzeneboronic acid,boronic acid, 2,3,5,6-tetrafluorophenyl,boronic acid, b-2,3,5,6-tetrafluorophenyl,acmc-209ks0,2,3,5,6-tetrafluorophenylboranic acid,2,3,5,6-tetrakis fluoranyl phenyl boronic acid,boronic acid, 2,3,5,6-tetrafluorophenyl-9ci |
| IUPAC Name | (2,3,5,6-tetrafluorophenyl)boronic acid |
| InChI Key | SORPNEUIIZJCBF-UHFFFAOYSA-N |
| Molecular Formula | C6H3BF4O2 |
1,4-Difluorobenzene, 99+%
CAS: 540-36-3 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000344 InChI Key: QUGUFLJIAFISSW-UHFFFAOYSA-N Synonym: p-difluorobenzene,benzene, 1,4-difluoro,para-difluorobenzene,benzene, p-difluoro,2,5-difluorobenzene,unii-y9fq2ef0z6,1,4-difluorbenzol,y9fq2ef0z6,benzene,4-difluoro,pubchem2309 PubChem CID: 10892 ChEBI: CHEBI:38585 IUPAC Name: 1,4-difluorobenzene SMILES: FC1=CC=C(F)C=C1
| PubChem CID | 10892 |
|---|---|
| CAS | 540-36-3 |
| Molecular Weight (g/mol) | 114.10 |
| ChEBI | CHEBI:38585 |
| MDL Number | MFCD00000344 |
| SMILES | FC1=CC=C(F)C=C1 |
| Synonym | p-difluorobenzene,benzene, 1,4-difluoro,para-difluorobenzene,benzene, p-difluoro,2,5-difluorobenzene,unii-y9fq2ef0z6,1,4-difluorbenzol,y9fq2ef0z6,benzene,4-difluoro,pubchem2309 |
| IUPAC Name | 1,4-difluorobenzene |
| InChI Key | QUGUFLJIAFISSW-UHFFFAOYSA-N |
| Molecular Formula | C6H4F2 |
Chloropentafluorobenzene, 98+%
CAS: 344-07-0 Molecular Formula: C6ClF5 Molecular Weight (g/mol): 202.51 MDL Number: MFCD00000534 InChI Key: KGCDGLXSBHJAHZ-UHFFFAOYSA-N Synonym: chloropentafluorobenzene,pentafluorochlorobenzene,benzene, chloropentafluoro,pentafluorophenyl chloride,chloroperfluorobenzene,ccris 2394,pentafluorochloro benzene,1-chloro-2,3,4,5,6-pentafluoro-benzene,benzene, 1-chloro-2,3,4,5,6-pentafluoro,pentafluorophenylchloride PubChem CID: 9579 IUPAC Name: 1-chloro-2,3,4,5,6-pentafluorobenzene SMILES: FC1=C(F)C(F)=C(Cl)C(F)=C1F
| PubChem CID | 9579 |
|---|---|
| CAS | 344-07-0 |
| Molecular Weight (g/mol) | 202.51 |
| MDL Number | MFCD00000534 |
| SMILES | FC1=C(F)C(F)=C(Cl)C(F)=C1F |
| Synonym | chloropentafluorobenzene,pentafluorochlorobenzene,benzene, chloropentafluoro,pentafluorophenyl chloride,chloroperfluorobenzene,ccris 2394,pentafluorochloro benzene,1-chloro-2,3,4,5,6-pentafluoro-benzene,benzene, 1-chloro-2,3,4,5,6-pentafluoro,pentafluorophenylchloride |
| IUPAC Name | 1-chloro-2,3,4,5,6-pentafluorobenzene |
| InChI Key | KGCDGLXSBHJAHZ-UHFFFAOYSA-N |
| Molecular Formula | C6ClF5 |
4-(4-Fluorophenyl)butyric acid, 97%
CAS: 589-06-0 Molecular Formula: C10H11FO2 Molecular Weight (g/mol): 182.19 MDL Number: MFCD03788503 InChI Key: XVQYBBYOYJXQBF-UHFFFAOYSA-N Synonym: 4-4-fluorophenyl butanoic acid,4-4-fluorophenyl butyric acid,4-4-fluoro-phenyl-butyric acid,4-p-fluorophenyl butyric acid,benzenebutanoic acid, 4-fluoro,4-4-fluorophenyl butanoicacid,acmc-1awzu,4-fluorobenzenebutanoic acid,4-4-fluorophenyl butyricacid,benzenebutanoic acid,4-fluoro PubChem CID: 68524 IUPAC Name: 4-(4-fluorophenyl)butanoic acid SMILES: OC(=O)CCCC1=CC=C(F)C=C1
| PubChem CID | 68524 |
|---|---|
| CAS | 589-06-0 |
| Molecular Weight (g/mol) | 182.19 |
| MDL Number | MFCD03788503 |
| SMILES | OC(=O)CCCC1=CC=C(F)C=C1 |
| Synonym | 4-4-fluorophenyl butanoic acid,4-4-fluorophenyl butyric acid,4-4-fluoro-phenyl-butyric acid,4-p-fluorophenyl butyric acid,benzenebutanoic acid, 4-fluoro,4-4-fluorophenyl butanoicacid,acmc-1awzu,4-fluorobenzenebutanoic acid,4-4-fluorophenyl butyricacid,benzenebutanoic acid,4-fluoro |
| IUPAC Name | 4-(4-fluorophenyl)butanoic acid |
| InChI Key | XVQYBBYOYJXQBF-UHFFFAOYSA-N |
| Molecular Formula | C10H11FO2 |
Phenylethyl isothiocyanate, 96%
CAS: 2257-09-2 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00004821 InChI Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N ChEBI: CHEBI:351346
| CAS | 2257-09-2 |
|---|---|
| Molecular Weight (g/mol) | 163.24 |
| ChEBI | CHEBI:351346 |
| MDL Number | MFCD00004821 |
| InChI Key | IZJDOKYDEWTZSO-UHFFFAOYSA-N |
| Molecular Formula | C9H9NS |
1,2-Difluorobenzene, 98+%
CAS: 367-11-3 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000284 InChI Key: GOYDNIKZWGIXJT-UHFFFAOYSA-N Synonym: o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene PubChem CID: 9706 ChEBI: CHEBI:38583 IUPAC Name: 1,2-difluorobenzene SMILES: FC1=CC=CC=C1F
| PubChem CID | 9706 |
|---|---|
| CAS | 367-11-3 |
| Molecular Weight (g/mol) | 114.10 |
| ChEBI | CHEBI:38583 |
| MDL Number | MFCD00000284 |
| SMILES | FC1=CC=CC=C1F |
| Synonym | o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene |
| IUPAC Name | 1,2-difluorobenzene |
| InChI Key | GOYDNIKZWGIXJT-UHFFFAOYSA-N |
| Molecular Formula | C6H4F2 |