Benzenoids
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Diphenylacetonitrile, 99+%
CAS: 86-29-3 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 InChI Key: NEBPTMCRLHKPOB-UHFFFAOYSA-N Synonym: diphenylacetonitrile,dipan,diphenatrile,benzhydrylcyanide,diphenylmethylcyanide,benzyhydrylcyanide,acetonitrile, diphenyl,benzeneacetonitrile, alpha-phenyl,usaf kf-13,difenylacetonitril PubChem CID: 6837 IUPAC Name: 2,2-diphenylacetonitrile SMILES: C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2
| PubChem CID | 6837 |
|---|---|
| CAS | 86-29-3 |
| Molecular Weight (g/mol) | 193.25 |
| SMILES | C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2 |
| Synonym | diphenylacetonitrile,dipan,diphenatrile,benzhydrylcyanide,diphenylmethylcyanide,benzyhydrylcyanide,acetonitrile, diphenyl,benzeneacetonitrile, alpha-phenyl,usaf kf-13,difenylacetonitril |
| IUPAC Name | 2,2-diphenylacetonitrile |
| InChI Key | NEBPTMCRLHKPOB-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
5-Hydroxy-p-naphthoquinone, 97%
CAS: 481-39-0 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00001684 InChI Key: KQPYUDDGWXQXHS-UHFFFAOYSA-N Synonym: juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon PubChem CID: 3806 ChEBI: CHEBI:15794 IUPAC Name: 5-hydroxynaphthalene-1,4-dione SMILES: OC1=CC=CC2=C1C(=O)C=CC2=O
| PubChem CID | 3806 |
|---|---|
| CAS | 481-39-0 |
| Molecular Weight (g/mol) | 174.16 |
| ChEBI | CHEBI:15794 |
| MDL Number | MFCD00001684 |
| SMILES | OC1=CC=CC2=C1C(=O)C=CC2=O |
| Synonym | juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon |
| IUPAC Name | 5-hydroxynaphthalene-1,4-dione |
| InChI Key | KQPYUDDGWXQXHS-UHFFFAOYSA-N |
| Molecular Formula | C10H6O3 |
2-Bromo-1,4-dimethoxybenzene, 98%
CAS: 25245-34-5 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.06 MDL Number: MFCD00008355 InChI Key: DWCGNRKFLRLWCJ-UHFFFAOYSA-N PubChem CID: 91353 IUPAC Name: 2-bromo-1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C(Br)=C1
| PubChem CID | 91353 |
|---|---|
| CAS | 25245-34-5 |
| Molecular Weight (g/mol) | 217.06 |
| MDL Number | MFCD00008355 |
| SMILES | COC1=CC=C(OC)C(Br)=C1 |
| IUPAC Name | 2-bromo-1,4-dimethoxybenzene |
| InChI Key | DWCGNRKFLRLWCJ-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
2-Fluoro-5-methoxybenzoic acid, 97+%
CAS: 367-83-9 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00272566 InChI Key: REDSLTKMNCCQBC-UHFFFAOYSA-N PubChem CID: 2774543 IUPAC Name: 2-fluoro-5-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)F)C(=O)O
| PubChem CID | 2774543 |
|---|---|
| CAS | 367-83-9 |
| Molecular Weight (g/mol) | 170.139 |
| MDL Number | MFCD00272566 |
| SMILES | COC1=CC(=C(C=C1)F)C(=O)O |
| IUPAC Name | 2-fluoro-5-methoxybenzoic acid |
| InChI Key | REDSLTKMNCCQBC-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO3 |
Ambroxol hydrochloride, 98%
CAS: 23828-92-4 Molecular Formula: C13H18Br2N2O Molecular Weight (g/mol): 378.108 MDL Number: MFCD00078932 InChI Key: JBDGDEWWOUBZPM-UHFFFAOYSA-N Synonym: ambroxol,ambroxolum,bisolvon metabolite viii,bromhexine-metabolite viii,4-2-amino-3,5-dibromobenzyl amino cyclohexanol,ambroxol inn:ban,ambroxol ep impurity d,ambroxol base,ambroxolum inn-latin,rac-cis-ambroxol PubChem CID: 2132 IUPAC Name: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol SMILES: C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)O
| PubChem CID | 2132 |
|---|---|
| CAS | 23828-92-4 |
| Molecular Weight (g/mol) | 378.108 |
| MDL Number | MFCD00078932 |
| SMILES | C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)O |
| Synonym | ambroxol,ambroxolum,bisolvon metabolite viii,bromhexine-metabolite viii,4-2-amino-3,5-dibromobenzyl amino cyclohexanol,ambroxol inn:ban,ambroxol ep impurity d,ambroxol base,ambroxolum inn-latin,rac-cis-ambroxol |
| IUPAC Name | 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol |
| InChI Key | JBDGDEWWOUBZPM-UHFFFAOYSA-N |
| Molecular Formula | C13H18Br2N2O |
Metoclopramide Hydrochloride, Monohydrate, USP, 98-101%, Spectrum™ Chemical
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CAS: 54143-57-6 Molecular Formula: C14H25Cl2N3O3 Molecular Weight (g/mol): 354.27 MDL Number: MFCD00150634 InChI Key: KJBLQGHJOCAOJP-UHFFFAOYSA-N IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride SMILES: O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
| CAS | 54143-57-6 |
|---|---|
| Molecular Weight (g/mol) | 354.27 |
| MDL Number | MFCD00150634 |
| SMILES | O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC |
| IUPAC Name | 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride |
| InChI Key | KJBLQGHJOCAOJP-UHFFFAOYSA-N |
| Molecular Formula | C14H25Cl2N3O3 |
Methylparaben, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 61-68-7 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 InChI Key: HYYBABOKPJLUIN-UHFFFAOYSA-N IUPAC Name: 2-[(2,3-dimethylphenyl)amino]benzoic acid SMILES: CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C
| CAS | 61-68-7 |
|---|---|
| Molecular Weight (g/mol) | 241.29 |
| SMILES | CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C |
| IUPAC Name | 2-[(2,3-dimethylphenyl)amino]benzoic acid |
| InChI Key | HYYBABOKPJLUIN-UHFFFAOYSA-N |
| Molecular Formula | C15H15NO2 |
2-Iodophenol, 98%
CAS: 533-58-4 Molecular Formula: C6H5IO Molecular Weight (g/mol): 220.01 MDL Number: MFCD00013963 InChI Key: KQDJTBPASNJQFQ-UHFFFAOYSA-N Synonym: o-iodophenol,phenol, 2-iodo,phenol, o-iodo,o-jodfenol,2-jodfenol,phenol, iodo,o-jodfenol czech,2-jodfenol czech,o-jodphenol,2-iodanylphenol PubChem CID: 10784 ChEBI: CHEBI:16706 IUPAC Name: 2-iodophenol SMILES: OC1=CC=CC=C1I
| PubChem CID | 10784 |
|---|---|
| CAS | 533-58-4 |
| Molecular Weight (g/mol) | 220.01 |
| ChEBI | CHEBI:16706 |
| MDL Number | MFCD00013963 |
| SMILES | OC1=CC=CC=C1I |
| Synonym | o-iodophenol,phenol, 2-iodo,phenol, o-iodo,o-jodfenol,2-jodfenol,phenol, iodo,o-jodfenol czech,2-jodfenol czech,o-jodphenol,2-iodanylphenol |
| IUPAC Name | 2-iodophenol |
| InChI Key | KQDJTBPASNJQFQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5IO |
5-Nitro-2-(3-phenylpropylamino)benzoic acid, 98%
CAS: 107254-86-4 Molecular Formula: C16H16N2O4 Molecular Weight (g/mol): 300.31 MDL Number: MFCD00153851 InChI Key: WBSMIPAMAXNXFS-UHFFFAOYSA-N Synonym: nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814 PubChem CID: 4549 ChEBI: CHEBI:34457 IUPAC Name: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid SMILES: OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O
| PubChem CID | 4549 |
|---|---|
| CAS | 107254-86-4 |
| Molecular Weight (g/mol) | 300.31 |
| ChEBI | CHEBI:34457 |
| MDL Number | MFCD00153851 |
| SMILES | OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O |
| Synonym | nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814 |
| IUPAC Name | 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid |
| InChI Key | WBSMIPAMAXNXFS-UHFFFAOYSA-N |
| Molecular Formula | C16H16N2O4 |
2,3-Dimethoxyphenol, 98%
CAS: 5150-42-5 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.165 MDL Number: MFCD00008366 InChI Key: QSZCGGBDNYTQHH-UHFFFAOYSA-N Synonym: dimethoxyphenol,phenol, dimethoxy,unii-ow147i6c84,1-hydroxy-2,3-dimethoxybenzene,pyrogallol 1,2-dimethyl ether,phenol, 2,3-dimethoxy,phenol,3-dimethoxy,2,3-di-methoxyphenol,2,3-dim ethoxyphenol,2,3-dimethoxy phenol PubChem CID: 78828 IUPAC Name: 2,3-dimethoxyphenol SMILES: COC1=CC=CC(=C1OC)O
| PubChem CID | 78828 |
|---|---|
| CAS | 5150-42-5 |
| Molecular Weight (g/mol) | 154.165 |
| MDL Number | MFCD00008366 |
| SMILES | COC1=CC=CC(=C1OC)O |
| Synonym | dimethoxyphenol,phenol, dimethoxy,unii-ow147i6c84,1-hydroxy-2,3-dimethoxybenzene,pyrogallol 1,2-dimethyl ether,phenol, 2,3-dimethoxy,phenol,3-dimethoxy,2,3-di-methoxyphenol,2,3-dim ethoxyphenol,2,3-dimethoxy phenol |
| IUPAC Name | 2,3-dimethoxyphenol |
| InChI Key | QSZCGGBDNYTQHH-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3 |
2,3-Dihydroxynaphthalene, 98%
CAS: 92-44-4 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00004073 InChI Key: JRNGUTKWMSBIBF-UHFFFAOYSA-N Synonym: 2,3-dihydroxynaphthalene,2,3-naphthalenediol,2,3-dihydroxynapthalene,2,3-dihydroxy naphthalene,2,3-dihydroxynaphthlene,naphthalenediol-2,3,3-hydroxy-2-naphthol,2,3dihydroxynaphthalene,acmc-209rfr,2,3-dihydroxylnaphthalene PubChem CID: 7091 ChEBI: CHEBI:38135 IUPAC Name: naphthalene-2,3-diol SMILES: OC1=C(O)C=C2C=CC=CC2=C1
| PubChem CID | 7091 |
|---|---|
| CAS | 92-44-4 |
| Molecular Weight (g/mol) | 160.17 |
| ChEBI | CHEBI:38135 |
| MDL Number | MFCD00004073 |
| SMILES | OC1=C(O)C=C2C=CC=CC2=C1 |
| Synonym | 2,3-dihydroxynaphthalene,2,3-naphthalenediol,2,3-dihydroxynapthalene,2,3-dihydroxy naphthalene,2,3-dihydroxynaphthlene,naphthalenediol-2,3,3-hydroxy-2-naphthol,2,3dihydroxynaphthalene,acmc-209rfr,2,3-dihydroxylnaphthalene |
| IUPAC Name | naphthalene-2,3-diol |
| InChI Key | JRNGUTKWMSBIBF-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
Methyl Salicylate, FCC, 98%, Spectrum™ Chemical
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CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O
| CAS | 119-36-8 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| SMILES | COC(=O)C1=CC=CC=C1O |
| IUPAC Name | methyl 2-hydroxybenzoate |
| InChI Key | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Aminostyrene, 97%, stab.
CAS: 1520-21-4 Molecular Formula: C8H9N Molecular Weight (g/mol): 119.167 MDL Number: MFCD00015329 InChI Key: LBSXSAXOLABXMF-UHFFFAOYSA-N PubChem CID: 73700 IUPAC Name: 4-ethenylaniline SMILES: C=CC1=CC=C(C=C1)N
| PubChem CID | 73700 |
|---|---|
| CAS | 1520-21-4 |
| Molecular Weight (g/mol) | 119.167 |
| MDL Number | MFCD00015329 |
| SMILES | C=CC1=CC=C(C=C1)N |
| IUPAC Name | 4-ethenylaniline |
| InChI Key | LBSXSAXOLABXMF-UHFFFAOYSA-N |
| Molecular Formula | C8H9N |
4-Bromo-1-chloro-2-fluorobenzene, 98%
CAS: 60811-18-9 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.44 MDL Number: MFCD00042519 InChI Key: AGYWDGVTLKNTBS-UHFFFAOYSA-N Synonym: 1-bromo-4-chloro-3-fluorobenzene,3-fluoro-4-chlorobromobenzene,2-fluoro-4-bromochlorobenzene,2-chloro-5-bromofluorobenzene,4-chloro-3-fluorobromobenzene,5-bromo-2-chlorofluorobenzene,4-bromo-1-chloro-2-fluoro-benzene,4-bromo-2-fluorochlorobenzene,benzene, 4-bromo-1-chloro-2-fluoro,3-fluoro-4-chloro-bromobenzene PubChem CID: 2724690 IUPAC Name: 4-bromo-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(Br)=C1
| PubChem CID | 2724690 |
|---|---|
| CAS | 60811-18-9 |
| Molecular Weight (g/mol) | 209.44 |
| MDL Number | MFCD00042519 |
| SMILES | FC1=C(Cl)C=CC(Br)=C1 |
| Synonym | 1-bromo-4-chloro-3-fluorobenzene,3-fluoro-4-chlorobromobenzene,2-fluoro-4-bromochlorobenzene,2-chloro-5-bromofluorobenzene,4-chloro-3-fluorobromobenzene,5-bromo-2-chlorofluorobenzene,4-bromo-1-chloro-2-fluoro-benzene,4-bromo-2-fluorochlorobenzene,benzene, 4-bromo-1-chloro-2-fluoro,3-fluoro-4-chloro-bromobenzene |
| IUPAC Name | 4-bromo-1-chloro-2-fluorobenzene |
| InChI Key | AGYWDGVTLKNTBS-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |