Benzenoids
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2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile 98.0+%, TCI America™
CAS: 80866-87-1 Molecular Formula: C10H8F3NO Molecular Weight (g/mol): 215.175 MDL Number: MFCD00001844 InChI Key: UBOJBAYKXZRZHI-UHFFFAOYSA-N Synonym: 2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-methoxy-alpha-trifluoromethyl phenylacetonitrile,methoxyphenyl trifluoromethyl acetonitrile,acmc-1bl9n,-a-methoxy-a-trifluoromethylphenylacetonitrile,+/--a-methoxy-a-trifluoromethylphenylacetonitrile,#,+/--2-methoxy-2-trifluoromethyl phenylacetonitrile,+\--2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-trifluoromethyl-alpha-methoxybenzeneacetonitrile PubChem CID: 589652 IUPAC Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile SMILES: COC(C#N)(C1=CC=CC=C1)C(F)(F)F
| PubChem CID | 589652 |
|---|---|
| CAS | 80866-87-1 |
| Molecular Weight (g/mol) | 215.175 |
| MDL Number | MFCD00001844 |
| SMILES | COC(C#N)(C1=CC=CC=C1)C(F)(F)F |
| Synonym | 2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-methoxy-alpha-trifluoromethyl phenylacetonitrile,methoxyphenyl trifluoromethyl acetonitrile,acmc-1bl9n,-a-methoxy-a-trifluoromethylphenylacetonitrile,+/--a-methoxy-a-trifluoromethylphenylacetonitrile,#,+/--2-methoxy-2-trifluoromethyl phenylacetonitrile,+\--2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-trifluoromethyl-alpha-methoxybenzeneacetonitrile |
| IUPAC Name | 3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile |
| InChI Key | UBOJBAYKXZRZHI-UHFFFAOYSA-N |
| Molecular Formula | C10H8F3NO |
3,5-Dihydroxybenzamide 98.0+%, TCI America™
CAS: 3147-62-4 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00017123 InChI Key: PLYYMFBDRBSPJZ-UHFFFAOYSA-N Synonym: benzamide, 3,5-dihydroxy,3,5-dihydroxy-benzamide,alpha-resorcylamide,3,5-resorcylic acidamide,3,5-dihydroxybenzoic acid amide,.alpha.-resorcylamide,pubchem13928,a-resorcyl amide,acmc-1coua,ksc494k8l PubChem CID: 76604 IUPAC Name: 3,5-dihydroxybenzamide SMILES: C1=C(C=C(C=C1O)O)C(=O)N
| PubChem CID | 76604 |
|---|---|
| CAS | 3147-62-4 |
| Molecular Weight (g/mol) | 153.137 |
| MDL Number | MFCD00017123 |
| SMILES | C1=C(C=C(C=C1O)O)C(=O)N |
| Synonym | benzamide, 3,5-dihydroxy,3,5-dihydroxy-benzamide,alpha-resorcylamide,3,5-resorcylic acidamide,3,5-dihydroxybenzoic acid amide,.alpha.-resorcylamide,pubchem13928,a-resorcyl amide,acmc-1coua,ksc494k8l |
| IUPAC Name | 3,5-dihydroxybenzamide |
| InChI Key | PLYYMFBDRBSPJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
2-Bromo-9-fluorenone 98.0+%, TCI America™
CAS: 3096-56-8 Molecular Formula: C13H7BrO Molecular Weight (g/mol): 259.10 MDL Number: MFCD00010789 InChI Key: MTCARZDHUIEYMB-UHFFFAOYSA-N Synonym: 2-bromo-9-fluorenone,2-bromo-9h-fluoren-9-one,9h-fluoren-9-one, 2-bromo,2-bromanylfluoren-9-one,acmc-209hjk,2-bromo-9h-fluorenone,ksc318o8f PubChem CID: 725831 IUPAC Name: 2-bromo-9H-fluoren-9-one SMILES: BrC1=CC=C2C3=CC=CC=C3C(=O)C2=C1
| PubChem CID | 725831 |
|---|---|
| CAS | 3096-56-8 |
| Molecular Weight (g/mol) | 259.10 |
| MDL Number | MFCD00010789 |
| SMILES | BrC1=CC=C2C3=CC=CC=C3C(=O)C2=C1 |
| Synonym | 2-bromo-9-fluorenone,2-bromo-9h-fluoren-9-one,9h-fluoren-9-one, 2-bromo,2-bromanylfluoren-9-one,acmc-209hjk,2-bromo-9h-fluorenone,ksc318o8f |
| IUPAC Name | 2-bromo-9H-fluoren-9-one |
| InChI Key | MTCARZDHUIEYMB-UHFFFAOYSA-N |
| Molecular Formula | C13H7BrO |
3,4-Diethoxybenzoic Acid 98.0+%, TCI America™
CAS: 5409-31-4 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00002504 InChI Key: VVKCVAPLTRZJHH-UHFFFAOYSA-N Synonym: benzoic acid, 3,4-diethoxy,benzoicacid34diethoxy,3,4-diethoxy-benzoic acid,acmc-1apyn,ksc271i5p,3,4-bis ethyloxy benzoic acid,3,4-diethoxybenzoic acid PubChem CID: 79417 IUPAC Name: 3,4-diethoxybenzoic acid SMILES: CCOC1=C(C=C(C=C1)C(=O)O)OCC
| PubChem CID | 79417 |
|---|---|
| CAS | 5409-31-4 |
| Molecular Weight (g/mol) | 210.229 |
| MDL Number | MFCD00002504 |
| SMILES | CCOC1=C(C=C(C=C1)C(=O)O)OCC |
| Synonym | benzoic acid, 3,4-diethoxy,benzoicacid34diethoxy,3,4-diethoxy-benzoic acid,acmc-1apyn,ksc271i5p,3,4-bis ethyloxy benzoic acid,3,4-diethoxybenzoic acid |
| IUPAC Name | 3,4-diethoxybenzoic acid |
| InChI Key | VVKCVAPLTRZJHH-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |
2-Fluoro-5-formylbenzonitrile 98.0+%, TCI America™
CAS: 218301-22-5 Molecular Formula: C8H4FNO Molecular Weight (g/mol): 149.124 MDL Number: MFCD01863558 InChI Key: MOFRJTLODZILCR-UHFFFAOYSA-N Synonym: 3-cyano-4-fluorobenzaldehyde,4-fluoro-3-cyanobenzaldehyde,2-fluoro-5-formyl-benzonitrile,benzonitrile, 2-fluoro-5-formyl,2-fluoro-5-formylbenzenecarbonitrile,2-fluor-5-formylbenzonitrile,10014 2-fluoro-5-formyl benzonitrile,pubchem2252,acmc-1cfa9,fluoro-5-formylbenzonitrile PubChem CID: 2769582 IUPAC Name: 2-fluoro-5-formylbenzonitrile SMILES: C1=CC(=C(C=C1C=O)C#N)F
| PubChem CID | 2769582 |
|---|---|
| CAS | 218301-22-5 |
| Molecular Weight (g/mol) | 149.124 |
| MDL Number | MFCD01863558 |
| SMILES | C1=CC(=C(C=C1C=O)C#N)F |
| Synonym | 3-cyano-4-fluorobenzaldehyde,4-fluoro-3-cyanobenzaldehyde,2-fluoro-5-formyl-benzonitrile,benzonitrile, 2-fluoro-5-formyl,2-fluoro-5-formylbenzenecarbonitrile,2-fluor-5-formylbenzonitrile,10014 2-fluoro-5-formyl benzonitrile,pubchem2252,acmc-1cfa9,fluoro-5-formylbenzonitrile |
| IUPAC Name | 2-fluoro-5-formylbenzonitrile |
| InChI Key | MOFRJTLODZILCR-UHFFFAOYSA-N |
| Molecular Formula | C8H4FNO |
2-Fluorobenzamide 98.0+%, TCI America™
CAS: 445-28-3 Molecular Formula: C7H6FNO Molecular Weight (g/mol): 139.129 MDL Number: MFCD00007970 InChI Key: KGGHWIKBOIQEAJ-UHFFFAOYSA-N Synonym: o-fluorobenzamide,benzamide, 2-fluoro,benzamide, o-fluoro,o-fluorobenzoic acid amide,ortho-fluorobenzamide,fluorobenzamide,2-fluoro-benzamide,pubchem3405,acmc-1aljb,2-fluorobenzamide PubChem CID: 67964 IUPAC Name: 2-fluorobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)F
| PubChem CID | 67964 |
|---|---|
| CAS | 445-28-3 |
| Molecular Weight (g/mol) | 139.129 |
| MDL Number | MFCD00007970 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)F |
| Synonym | o-fluorobenzamide,benzamide, 2-fluoro,benzamide, o-fluoro,o-fluorobenzoic acid amide,ortho-fluorobenzamide,fluorobenzamide,2-fluoro-benzamide,pubchem3405,acmc-1aljb,2-fluorobenzamide |
| IUPAC Name | 2-fluorobenzamide |
| InChI Key | KGGHWIKBOIQEAJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO |
1,3-Dichloro-5-fluorobenzene 98.0+%, TCI America™
CAS: 1435-46-7 Molecular Formula: C6H3Cl2F Molecular Weight (g/mol): 164.988 MDL Number: MFCD00060652 InChI Key: BLWGKIXZAUOECS-UHFFFAOYSA-N PubChem CID: 137002 IUPAC Name: 1,3-dichloro-5-fluorobenzene SMILES: C1=C(C=C(C=C1Cl)Cl)F
| PubChem CID | 137002 |
|---|---|
| CAS | 1435-46-7 |
| Molecular Weight (g/mol) | 164.988 |
| MDL Number | MFCD00060652 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)F |
| IUPAC Name | 1,3-dichloro-5-fluorobenzene |
| InChI Key | BLWGKIXZAUOECS-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2F |
1,3-Dibromo-5-fluoro-2-iodobenzene 98.0+%, TCI America™
CAS: 62720-29-0 Molecular Formula: C6H2Br2FI Molecular Weight (g/mol): 379.79 MDL Number: MFCD00042232 InChI Key: LIWKANDEJFABTQ-UHFFFAOYSA-N Synonym: 2,6-dibromo-4-fluoroiodobenzene,benzene, 1,3-dibromo-5-fluoro-2-iodo,1,3-dibromo-5-fluoro-2-iodo-benzene,pubchem3449,acmc-1b2cd,ksc615o5d,2.6-dibromo-4-fluoro iodobenzene,2,6-dibromo-4-fluoro-1-iodobenzene,benzene,1,3-dibromo-5-fluoro-2-iodo PubChem CID: 2724606 IUPAC Name: 1,3-dibromo-5-fluoro-2-iodobenzene SMILES: FC1=CC(Br)=C(I)C(Br)=C1
| PubChem CID | 2724606 |
|---|---|
| CAS | 62720-29-0 |
| Molecular Weight (g/mol) | 379.79 |
| MDL Number | MFCD00042232 |
| SMILES | FC1=CC(Br)=C(I)C(Br)=C1 |
| Synonym | 2,6-dibromo-4-fluoroiodobenzene,benzene, 1,3-dibromo-5-fluoro-2-iodo,1,3-dibromo-5-fluoro-2-iodo-benzene,pubchem3449,acmc-1b2cd,ksc615o5d,2.6-dibromo-4-fluoro iodobenzene,2,6-dibromo-4-fluoro-1-iodobenzene,benzene,1,3-dibromo-5-fluoro-2-iodo |
| IUPAC Name | 1,3-dibromo-5-fluoro-2-iodobenzene |
| InChI Key | LIWKANDEJFABTQ-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2FI |
Sodium 3-Methylsalicylate 97.0+%, TCI America™
CAS: 32768-20-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.131 MDL Number: MFCD00058985 InChI Key: ODAXNLPYGWAGTH-UHFFFAOYSA-M Synonym: o-Cresotic Acid Sodium Salt, 2-Hydroxy-3-methylbenzoic Acid Sodium Salt, 2-Hydroxy-m-toluic Acid Sodium Salt, Sodium 2-Hydroxy-3-methylbenzoate, 3-Methylsalicylic Acid Sodium Salt PubChem CID: 23668291 IUPAC Name: sodium;2-hydroxy-3-methylbenzoate SMILES: CC1=CC=CC(=C1O)C(=O)[O-].[Na+]
| PubChem CID | 23668291 |
|---|---|
| CAS | 32768-20-0 |
| Molecular Weight (g/mol) | 174.131 |
| MDL Number | MFCD00058985 |
| SMILES | CC1=CC=CC(=C1O)C(=O)[O-].[Na+] |
| Synonym | o-Cresotic Acid Sodium Salt, 2-Hydroxy-3-methylbenzoic Acid Sodium Salt, 2-Hydroxy-m-toluic Acid Sodium Salt, Sodium 2-Hydroxy-3-methylbenzoate, 3-Methylsalicylic Acid Sodium Salt |
| IUPAC Name | sodium;2-hydroxy-3-methylbenzoate |
| InChI Key | ODAXNLPYGWAGTH-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO3 |
3-Amino-o-cresol 98.0+%, TCI America™
CAS: 53222-92-7 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 InChI Key: FLROJJGKUKLCAE-UHFFFAOYSA-N Synonym: 3-amino-o-cresol,phenol, 3-amino-2-methyl,2-amino-o-cresol,2-methyl-3-aminophenol,3-hydroxy-2-methylaniline,aminokresol,o-cresol, 3-amino,pubchem15039,2-methyl-3-amino-phenol,3-amino-2-methyl phenol PubChem CID: 104448 IUPAC Name: 3-amino-2-methylphenol SMILES: CC1=C(C=CC=C1O)N
| PubChem CID | 104448 |
|---|---|
| CAS | 53222-92-7 |
| Molecular Weight (g/mol) | 123.155 |
| SMILES | CC1=C(C=CC=C1O)N |
| Synonym | 3-amino-o-cresol,phenol, 3-amino-2-methyl,2-amino-o-cresol,2-methyl-3-aminophenol,3-hydroxy-2-methylaniline,aminokresol,o-cresol, 3-amino,pubchem15039,2-methyl-3-amino-phenol,3-amino-2-methyl phenol |
| IUPAC Name | 3-amino-2-methylphenol |
| InChI Key | FLROJJGKUKLCAE-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
Cinnamyl Butyrate 97.0+%, TCI America™
CAS: 103-61-7 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00027135 InChI Key: YZYPQKZWNXANRB-UXBLZVDNSA-N Synonym: Butyric Acid Cinnamyl Ester PubChem CID: 5355254 IUPAC Name: [(E)-3-phenylprop-2-enyl] butanoate SMILES: CCCC(=O)OCC=CC1=CC=CC=C1
| PubChem CID | 5355254 |
|---|---|
| CAS | 103-61-7 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00027135 |
| SMILES | CCCC(=O)OCC=CC1=CC=CC=C1 |
| Synonym | Butyric Acid Cinnamyl Ester |
| IUPAC Name | [(E)-3-phenylprop-2-enyl] butanoate |
| InChI Key | YZYPQKZWNXANRB-UXBLZVDNSA-N |
| Molecular Formula | C13H16O2 |
2,6-Dimethoxybenzoic Acid 98.0+%, TCI America™
CAS: 1466-76-8 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002437 InChI Key: MBIZFBDREVRUHY-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 PubChem CID: 15109 IUPAC Name: 2,6-dimethoxybenzoic acid SMILES: COC1=CC=CC(OC)=C1C(O)=O
| PubChem CID | 15109 |
|---|---|
| CAS | 1466-76-8 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002437 |
| SMILES | COC1=CC=CC(OC)=C1C(O)=O |
| Synonym | benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 |
| IUPAC Name | 2,6-dimethoxybenzoic acid |
| InChI Key | MBIZFBDREVRUHY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Neopentylbenzene 97.0+%, TCI America™
CAS: 1007-26-7 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00038279 InChI Key: CJGXJKVMUHXVHL-UHFFFAOYSA-N Synonym: neopentylbenzene,benzene, 2,2-dimethylpropyl,neopentyl benzene,benzene, neopentyl,2,2-dimethyl-1-propyl benzene,unii-7mhd03e509,2,2-dimethylpropyl benzene,1-neopentylbenzene,acmc-1bs8x PubChem CID: 13877 IUPAC Name: 2,2-dimethylpropylbenzene SMILES: CC(C)(C)CC1=CC=CC=C1
| PubChem CID | 13877 |
|---|---|
| CAS | 1007-26-7 |
| Molecular Weight (g/mol) | 148.249 |
| MDL Number | MFCD00038279 |
| SMILES | CC(C)(C)CC1=CC=CC=C1 |
| Synonym | neopentylbenzene,benzene, 2,2-dimethylpropyl,neopentyl benzene,benzene, neopentyl,2,2-dimethyl-1-propyl benzene,unii-7mhd03e509,2,2-dimethylpropyl benzene,1-neopentylbenzene,acmc-1bs8x |
| IUPAC Name | 2,2-dimethylpropylbenzene |
| InChI Key | CJGXJKVMUHXVHL-UHFFFAOYSA-N |
| Molecular Formula | C11H16 |
Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate 98.0+%, TCI America™
CAS: 57113-90-3 Molecular Formula: C13H16N2O6 Molecular Weight (g/mol): 296.279 MDL Number: MFCD06797690 InChI Key: VEDIIGMQOAWKGH-UHFFFAOYSA-N Synonym: 2-(tert-Butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester, Methyl 2-(Boc-amino)-3-nitrobenzoate, 2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester PubChem CID: 9965968 IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate SMILES: CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC
| PubChem CID | 9965968 |
|---|---|
| CAS | 57113-90-3 |
| Molecular Weight (g/mol) | 296.279 |
| MDL Number | MFCD06797690 |
| SMILES | CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC |
| Synonym | 2-(tert-Butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester, Methyl 2-(Boc-amino)-3-nitrobenzoate, 2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate |
| InChI Key | VEDIIGMQOAWKGH-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2O6 |
Butyl Phenyl Ether 99.0+%, TCI America™
CAS: 1126-79-0 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00009438 InChI Key: YFNONBGXNFCTMM-UHFFFAOYSA-N Synonym: butyl phenyl ether,n-butyl phenyl ether,benzene, butoxy,ether, butyl phenyl,phenyl butyl ether,butoxyphenyl,n-butoxybenzene,butyloxy benzene,n-butylphenylether,butoxy-benzene PubChem CID: 14311 IUPAC Name: butoxybenzene SMILES: CCCCOC1=CC=CC=C1
| PubChem CID | 14311 |
|---|---|
| CAS | 1126-79-0 |
| Molecular Weight (g/mol) | 150.221 |
| MDL Number | MFCD00009438 |
| SMILES | CCCCOC1=CC=CC=C1 |
| Synonym | butyl phenyl ether,n-butyl phenyl ether,benzene, butoxy,ether, butyl phenyl,phenyl butyl ether,butoxyphenyl,n-butoxybenzene,butyloxy benzene,n-butylphenylether,butoxy-benzene |
| IUPAC Name | butoxybenzene |
| InChI Key | YFNONBGXNFCTMM-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |