Benzenoids
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2-(Fmoc-amino)benzoic acid, 98%
CAS: 150256-42-1 Molecular Formula: C22H17NO4 Molecular Weight (g/mol): 359.381 MDL Number: MFCD00235883 InChI Key: CNAVPEPPAVHHKN-UHFFFAOYSA-N Synonym: fmoc-2-abz-oh,fmoc-2-aminobenzoic acid,2-fmoc-amino benzoic acid,fmoc-abz-oh,n-fmoc-anthranilic acid,2-9h-fluoren-9-yl methoxy carbonyl amino benzoic acid,fmoc-anthranilic acid,benzoic acid, 2-9h-fluoren-9-ylmethoxy carbonyl amino,2-9h-fluoren-9-ylmethoxy carbonyl amino benzoic acid,n-2-9-fluorenylmethyloxycarbonyl amino-benzoic acid PubChem CID: 978386 IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC=C4C(=O)O
| PubChem CID | 978386 |
|---|---|
| CAS | 150256-42-1 |
| Molecular Weight (g/mol) | 359.381 |
| MDL Number | MFCD00235883 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC=C4C(=O)O |
| Synonym | fmoc-2-abz-oh,fmoc-2-aminobenzoic acid,2-fmoc-amino benzoic acid,fmoc-abz-oh,n-fmoc-anthranilic acid,2-9h-fluoren-9-yl methoxy carbonyl amino benzoic acid,fmoc-anthranilic acid,benzoic acid, 2-9h-fluoren-9-ylmethoxy carbonyl amino,2-9h-fluoren-9-ylmethoxy carbonyl amino benzoic acid,n-2-9-fluorenylmethyloxycarbonyl amino-benzoic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid |
| InChI Key | CNAVPEPPAVHHKN-UHFFFAOYSA-N |
| Molecular Formula | C22H17NO4 |
Spectrum Chemical Manufacturing Corporation Propylparaben, NF, BP, EP, 98-102%, Spectrum™ Chemical
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CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(O)C=C1
| CAS | 94-13-3 |
|---|---|
| Molecular Weight (g/mol) | 180.20 |
| SMILES | CCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
3,5-Bis(trifluoromethyl)aniline, 98%
CAS: 328-74-5 Molecular Formula: C8H5F6N Molecular Weight (g/mol): 229.125 MDL Number: MFCD00000394 InChI Key: CDIDGWDGQGVCIB-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl PubChem CID: 9480 IUPAC Name: 3,5-bis(trifluoromethyl)aniline SMILES: C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F
| PubChem CID | 9480 |
|---|---|
| CAS | 328-74-5 |
| Molecular Weight (g/mol) | 229.125 |
| MDL Number | MFCD00000394 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl |
| IUPAC Name | 3,5-bis(trifluoromethyl)aniline |
| InChI Key | CDIDGWDGQGVCIB-UHFFFAOYSA-N |
| Molecular Formula | C8H5F6N |
4-Chlorophenol, 99%
CAS: 106-48-9 Molecular Formula: C6H5ClO Molecular Weight (g/mol): 128.555 MDL Number: MFCD00002318 InChI Key: WXNZTHHGJRFXKQ-UHFFFAOYSA-N Synonym: p-chlorophenol,parachlorophenol,phenol, 4-chloro,4-hydroxychlorobenzene,phenol, p-chloro,applied 3-78,4-monochlorophenol,p-chlorophenic acid,p-chlorfenol,4-chloro-1-hydroxybenzene PubChem CID: 4684 ChEBI: CHEBI:28078 IUPAC Name: 4-chlorophenol SMILES: C1=CC(=CC=C1O)Cl
| PubChem CID | 4684 |
|---|---|
| CAS | 106-48-9 |
| Molecular Weight (g/mol) | 128.555 |
| ChEBI | CHEBI:28078 |
| MDL Number | MFCD00002318 |
| SMILES | C1=CC(=CC=C1O)Cl |
| Synonym | p-chlorophenol,parachlorophenol,phenol, 4-chloro,4-hydroxychlorobenzene,phenol, p-chloro,applied 3-78,4-monochlorophenol,p-chlorophenic acid,p-chlorfenol,4-chloro-1-hydroxybenzene |
| IUPAC Name | 4-chlorophenol |
| InChI Key | WXNZTHHGJRFXKQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClO |
5-Acetamido-2-aminobenzoic acid, 97%
CAS: 50670-83-2 Molecular Formula: C9H10N2O3 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00060120 InChI Key: GSOHXJQXAKNJES-UHFFFAOYSA-N Synonym: 5-acetamidoanthranilic acid,2-amino-5-acetamidobenzoic acid,benzoic acid, 5-acetylamino-2-amino,5-acetylamino-2-aminobenzoic acid,5-acetamino-2-aminobenzoic acid,5-acetamidoanthranilicacid,acmc-209kp2,5-acetylaminoanthanilic acid,5-acetamido-2-aminobenzoicacid,2-amino-5-acetaminobenzoic acid PubChem CID: 170890 IUPAC Name: 5-acetamido-2-aminobenzoic acid SMILES: CC(=O)NC1=CC(=C(C=C1)N)C(=O)O
| PubChem CID | 170890 |
|---|---|
| CAS | 50670-83-2 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00060120 |
| SMILES | CC(=O)NC1=CC(=C(C=C1)N)C(=O)O |
| Synonym | 5-acetamidoanthranilic acid,2-amino-5-acetamidobenzoic acid,benzoic acid, 5-acetylamino-2-amino,5-acetylamino-2-aminobenzoic acid,5-acetamino-2-aminobenzoic acid,5-acetamidoanthranilicacid,acmc-209kp2,5-acetylaminoanthanilic acid,5-acetamido-2-aminobenzoicacid,2-amino-5-acetaminobenzoic acid |
| IUPAC Name | 5-acetamido-2-aminobenzoic acid |
| InChI Key | GSOHXJQXAKNJES-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2O3 |
Octisalate, USP, 95-105%, Spectrum™ Chemical
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CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O
| CAS | 118-60-5 |
|---|---|
| Molecular Weight (g/mol) | 250.34 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1O |
| IUPAC Name | 2-ethylhexyl 2-hydroxybenzoate |
| InChI Key | FMRHJJZUHUTGKE-UHFFFAOYNA-N |
| Molecular Formula | C15H22O3 |
Spectrum Chemical Manufacturing Corporation p-Hydroxybenzoic Acid, Reagent, 99%, Spectrum™ Chemical
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CAS: 99-96-7 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00002547 InChI Key: FJKROLUGYXJWQN-UHFFFAOYSA-N IUPAC Name: 4-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C=C1
| CAS | 99-96-7 |
|---|---|
| Molecular Weight (g/mol) | 138.12 |
| MDL Number | MFCD00002547 |
| SMILES | OC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | 4-hydroxybenzoic acid |
| InChI Key | FJKROLUGYXJWQN-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
(4-Phenoxyphenyl)methylamine hydrochloride, 97%, Thermo Scientific™
CAS: 169944-04-1 Molecular Formula: C13H14ClNO Molecular Weight (g/mol): 235.711 InChI Key: VHCSCKHIGGFTHN-UHFFFAOYSA-N Synonym: 4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine hydrochloride,4-phenoxybenzylamine hydrochloride,benzenemethanamine, 4-phenoxy-, hydrochloride,1-4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine, chloride,1-4-phenoxyphenyl methanamine-hydrogen chloride 1/1 PubChem CID: 22293026 IUPAC Name: (4-phenoxyphenyl)methanamine;hydrochloride SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CN.Cl
| PubChem CID | 22293026 |
|---|---|
| CAS | 169944-04-1 |
| Molecular Weight (g/mol) | 235.711 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)CN.Cl |
| Synonym | 4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine hydrochloride,4-phenoxybenzylamine hydrochloride,benzenemethanamine, 4-phenoxy-, hydrochloride,1-4-phenoxyphenyl methanamine hydrochloride,4-phenoxyphenyl methylamine, chloride,1-4-phenoxyphenyl methanamine-hydrogen chloride 1/1 |
| IUPAC Name | (4-phenoxyphenyl)methanamine;hydrochloride |
| InChI Key | VHCSCKHIGGFTHN-UHFFFAOYSA-N |
| Molecular Formula | C13H14ClNO |
2-Bromo-6-nitrotoluene, 98%, Thermo Scientific Chemicals
CAS: 55289-35-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00009792 InChI Key: LYTNSGFSAXWBCA-UHFFFAOYSA-N Synonym: 2-bromo-6-nitrotoluene,6-bromo-2-nitrotoluene,3-bromo-2-methylnitrobenzene,1-bromo-2-methyl-3-nitro-benzene,benzene, 1-bromo-2-methyl-3-nitro,bromo 2--6-nitrotoluene,2-bromo-6-nitrotoluene,2-nitro-6-bromotoluene,3-bromo-2-methyl-1-nitrobenzene,1-brom-2-methyl-3-nitrobenzol,pubchem3823 PubChem CID: 123537 IUPAC Name: 1-bromo-2-methyl-3-nitrobenzene SMILES: CC1=C(C=CC=C1Br)[N+](=O)[O-]
| PubChem CID | 123537 |
|---|---|
| CAS | 55289-35-5 |
| Molecular Weight (g/mol) | 216.03 |
| MDL Number | MFCD00009792 |
| SMILES | CC1=C(C=CC=C1Br)[N+](=O)[O-] |
| Synonym | 2-bromo-6-nitrotoluene,6-bromo-2-nitrotoluene,3-bromo-2-methylnitrobenzene,1-bromo-2-methyl-3-nitro-benzene,benzene, 1-bromo-2-methyl-3-nitro,bromo 2--6-nitrotoluene,2-bromo-6-nitrotoluene,2-nitro-6-bromotoluene,3-bromo-2-methyl-1-nitrobenzene,1-brom-2-methyl-3-nitrobenzol,pubchem3823 |
| IUPAC Name | 1-bromo-2-methyl-3-nitrobenzene |
| InChI Key | LYTNSGFSAXWBCA-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
o-Anisic acid, 99%
CAS: 579-75-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002431 InChI Key: ILUJQPXNXACGAN-UHFFFAOYSA-N Synonym: o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid PubChem CID: 11370 ChEBI: CHEBI:421840 IUPAC Name: 2-methoxybenzoic acid SMILES: COC1=CC=CC=C1C(=O)O
| PubChem CID | 11370 |
|---|---|
| CAS | 579-75-9 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:421840 |
| MDL Number | MFCD00002431 |
| SMILES | COC1=CC=CC=C1C(=O)O |
| Synonym | o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid |
| IUPAC Name | 2-methoxybenzoic acid |
| InChI Key | ILUJQPXNXACGAN-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
1-(4-Iodobenzyl)-1H-pyrazole, ≥95%, Thermo Scientific™
CAS: 143128-30-7 Molecular Formula: C10H9IN2 Molecular Weight (g/mol): 284.1 MDL Number: MFCD08435917 InChI Key: QRCIIHVBALOAQK-UHFFFAOYSA-N Synonym: 1-4-iodobenzyl-1h-pyrazole,1-4-iodophenyl methyl pyrazole,1h-pyrazole,1-4-iodophenyl methyl,acmc-20n26c,1-4-iodophenyl methyl-1h-pyrazole PubChem CID: 21947282 IUPAC Name: 1-[(4-iodophenyl)methyl]pyrazole SMILES: C1=CN(N=C1)CC2=CC=C(C=C2)I
| PubChem CID | 21947282 |
|---|---|
| CAS | 143128-30-7 |
| Molecular Weight (g/mol) | 284.1 |
| MDL Number | MFCD08435917 |
| SMILES | C1=CN(N=C1)CC2=CC=C(C=C2)I |
| Synonym | 1-4-iodobenzyl-1h-pyrazole,1-4-iodophenyl methyl pyrazole,1h-pyrazole,1-4-iodophenyl methyl,acmc-20n26c,1-4-iodophenyl methyl-1h-pyrazole |
| IUPAC Name | 1-[(4-iodophenyl)methyl]pyrazole |
| InChI Key | QRCIIHVBALOAQK-UHFFFAOYSA-N |
| Molecular Formula | C10H9IN2 |
Phenol, Liquefied, 89%, Spectrum™ Chemical
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CAS: 108-95-2
| CAS | 108-95-2 |
|---|
(+)-Dehydroabietylamine hydrochloride
CAS: 16496-99-4 Molecular Formula: C20H32ClN Molecular Weight (g/mol): 321.93 MDL Number: MFCD06795849 InChI Key: CVPQLGCAWUAYPF-UHFFFAOYNA-N Synonym: leelamine hydrochloride,dehydroabiethylamine hydrochloride,+-dehydroabietylamine,lylamine hydrochloride,nsc 2955 hydrochloride,+-dehydroabietylamine hydrochloride,+-dehydroabiethylamine hydrochloride,abieta-8,11,13-trien-18-amine-hydrogen chloride 1/1,13-isopropyl-podocarpa-8,11,13-trien-15-amine hydrochloride,1r,4as,10ar-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl methanamine hydrochloride PubChem CID: 16759156 IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;hydrochloride SMILES: Cl.CC(C)C1=CC2=C(C=C1)C1(C)CCCC(C)(CN)C1CC2
| PubChem CID | 16759156 |
|---|---|
| CAS | 16496-99-4 |
| Molecular Weight (g/mol) | 321.93 |
| MDL Number | MFCD06795849 |
| SMILES | Cl.CC(C)C1=CC2=C(C=C1)C1(C)CCCC(C)(CN)C1CC2 |
| Synonym | leelamine hydrochloride,dehydroabiethylamine hydrochloride,+-dehydroabietylamine,lylamine hydrochloride,nsc 2955 hydrochloride,+-dehydroabietylamine hydrochloride,+-dehydroabiethylamine hydrochloride,abieta-8,11,13-trien-18-amine-hydrogen chloride 1/1,13-isopropyl-podocarpa-8,11,13-trien-15-amine hydrochloride,1r,4as,10ar-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl methanamine hydrochloride |
| IUPAC Name | [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;hydrochloride |
| InChI Key | CVPQLGCAWUAYPF-UHFFFAOYNA-N |
| Molecular Formula | C20H32ClN |
2,4-Dichloro-5-isopropoxyaniline, 98%
CAS: 41200-96-8 Molecular Formula: C9H11Cl2NO Molecular Weight (g/mol): 220.093 MDL Number: MFCD00974411 InChI Key: RWRWIICNMOKBIQ-UHFFFAOYSA-N Synonym: 2,4-dichloro-5-isopropoxyaniline,2,4-dichloro-5-2-propyloxy aniline,2,4-dichloro-5-propan-2-yloxy aniline,benzenamine, 2,4-dichloro-5-1-methylethoxy,acmc-20aodr,2,4-dichloro-5-isopropyloxyaniline,2,4-dichloro-5-isopropoxyphenylamine,2,4-dichloro-5-isopropoxy-phenylamine,2,4-dichloro-5-1-methylethoxy aniline,2,4-dichloro-5-methylethoxy phenylamine PubChem CID: 170476 IUPAC Name: 2,4-dichloro-5-propan-2-yloxyaniline SMILES: CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl
| PubChem CID | 170476 |
|---|---|
| CAS | 41200-96-8 |
| Molecular Weight (g/mol) | 220.093 |
| MDL Number | MFCD00974411 |
| SMILES | CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl |
| Synonym | 2,4-dichloro-5-isopropoxyaniline,2,4-dichloro-5-2-propyloxy aniline,2,4-dichloro-5-propan-2-yloxy aniline,benzenamine, 2,4-dichloro-5-1-methylethoxy,acmc-20aodr,2,4-dichloro-5-isopropyloxyaniline,2,4-dichloro-5-isopropoxyphenylamine,2,4-dichloro-5-isopropoxy-phenylamine,2,4-dichloro-5-1-methylethoxy aniline,2,4-dichloro-5-methylethoxy phenylamine |
| IUPAC Name | 2,4-dichloro-5-propan-2-yloxyaniline |
| InChI Key | RWRWIICNMOKBIQ-UHFFFAOYSA-N |
| Molecular Formula | C9H11Cl2NO |
Benzyl Alcohol, NF, EP, bioCERTIFIED, 98-100.5%, Spectrum™ Chemical
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CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| CAS | 100-51-6 |
|---|---|
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |