Benzenoids
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Propyl 4-Hydroxybenzoate 99.0+%, TCI America™
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CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 7175 |
|---|---|
| CAS | 94-13-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:32063 |
| MDL Number | MFCD00002354 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Amyl 4-Hydroxybenzoate 98.0+%, TCI America™
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CAS: 6521-29-5 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00016479 InChI Key: ZNSSPLQZSUWFJT-UHFFFAOYSA-N PubChem CID: 23019 IUPAC Name: pentyl 4-hydroxybenzoate SMILES: CCCCCOC(=O)C1=CC=C(O)C=C1
| PubChem CID | 23019 |
|---|---|
| CAS | 6521-29-5 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00016479 |
| SMILES | CCCCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | pentyl 4-hydroxybenzoate |
| InChI Key | ZNSSPLQZSUWFJT-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
2-Hydroxyindan 98.0+%, TCI America™
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CAS: 4254-29-9 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00003800 InChI Key: KMGCKSAIIHOKCX-UHFFFAOYSA-N Synonym: 2-indanol,indan-2-ol,2-hydroxyindan,2-hydroxyhydrindene,2-hydroxyindane,1h-inden-2-ol, 2,3-dihydro,2-indanol;,pubchem9652,acmc-1asoy PubChem CID: 77936 IUPAC Name: 2,3-dihydro-1H-inden-2-ol SMILES: C1C(CC2=CC=CC=C21)O
| PubChem CID | 77936 |
|---|---|
| CAS | 4254-29-9 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00003800 |
| SMILES | C1C(CC2=CC=CC=C21)O |
| Synonym | 2-indanol,indan-2-ol,2-hydroxyindan,2-hydroxyhydrindene,2-hydroxyindane,1h-inden-2-ol, 2,3-dihydro,2-indanol;,pubchem9652,acmc-1asoy |
| IUPAC Name | 2,3-dihydro-1H-inden-2-ol |
| InChI Key | KMGCKSAIIHOKCX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
4-Hydroxyphthalonitrile 97.0+%, TCI America™
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CAS: 30757-50-7 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.13 MDL Number: MFCD00191653 InChI Key: FTVOPKROFUTOKY-UHFFFAOYSA-N Synonym: 3,4-Dicyanophenol PubChem CID: 3875765 IUPAC Name: 4-hydroxybenzene-1,2-dicarbonitrile SMILES: OC1=CC(C#N)=C(C=C1)C#N
| PubChem CID | 3875765 |
|---|---|
| CAS | 30757-50-7 |
| Molecular Weight (g/mol) | 144.13 |
| MDL Number | MFCD00191653 |
| SMILES | OC1=CC(C#N)=C(C=C1)C#N |
| Synonym | 3,4-Dicyanophenol |
| IUPAC Name | 4-hydroxybenzene-1,2-dicarbonitrile |
| InChI Key | FTVOPKROFUTOKY-UHFFFAOYSA-N |
| Molecular Formula | C8H4N2O |
Dimethyl 5-Hydroxyisophthalate 98.0+%, TCI America™
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CAS: 13036-02-7 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00134367 InChI Key: DOSDTCPDBPRFHQ-UHFFFAOYSA-N PubChem CID: 83065 IUPAC Name: 1,3-dimethyl 5-hydroxybenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
| PubChem CID | 83065 |
|---|---|
| CAS | 13036-02-7 |
| Molecular Weight (g/mol) | 210.19 |
| MDL Number | MFCD00134367 |
| SMILES | COC(=O)C1=CC(=CC(O)=C1)C(=O)OC |
| IUPAC Name | 1,3-dimethyl 5-hydroxybenzene-1,3-dicarboxylate |
| InChI Key | DOSDTCPDBPRFHQ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O5 |
Cyclopropyldiphenylcarbinol 98.0+%, TCI America™
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CAS: 5785-66-0 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.30 MDL Number: MFCD00001298 InChI Key: MFKPHBJFWOOEDT-UHFFFAOYSA-N Synonym: cyclopropyldiphenylcarbinol,cyclopropyl diphenyl carbinol,methanol, cyclopropyldiphenyl,alpha-cyclopropylbenzhydrylic alcohol,cyclopropyl diphenyl methanol,diphenyl cyclopropyl carbinol,alpha-cyclopropyl-alpha-phenylbenzyl alcohol,benzyl alcohol, alpha-cyclopropyl-alpha-phenyl,benzenemethanol, alpha-cyclopropyl-alpha-phenyl-9ci,benzenemethanol, alpha-cyclopropyl-alpha-phenyl PubChem CID: 79850 IUPAC Name: cyclopropyldiphenylmethanol SMILES: OC(C1CC1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 79850 |
|---|---|
| CAS | 5785-66-0 |
| Molecular Weight (g/mol) | 224.30 |
| MDL Number | MFCD00001298 |
| SMILES | OC(C1CC1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | cyclopropyldiphenylcarbinol,cyclopropyl diphenyl carbinol,methanol, cyclopropyldiphenyl,alpha-cyclopropylbenzhydrylic alcohol,cyclopropyl diphenyl methanol,diphenyl cyclopropyl carbinol,alpha-cyclopropyl-alpha-phenylbenzyl alcohol,benzyl alcohol, alpha-cyclopropyl-alpha-phenyl,benzenemethanol, alpha-cyclopropyl-alpha-phenyl-9ci,benzenemethanol, alpha-cyclopropyl-alpha-phenyl |
| IUPAC Name | cyclopropyldiphenylmethanol |
| InChI Key | MFKPHBJFWOOEDT-UHFFFAOYSA-N |
| Molecular Formula | C16H16O |
4-Acetamidobenzaldehyde 98.0+%, TCI America™
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CAS: 122-85-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00003380 InChI Key: SKLUWKYNZNXSLX-UHFFFAOYSA-N Synonym: 4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde PubChem CID: 73942 IUPAC Name: N-(4-formylphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)C=O
| PubChem CID | 73942 |
|---|---|
| CAS | 122-85-0 |
| Molecular Weight (g/mol) | 163.176 |
| MDL Number | MFCD00003380 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C=O |
| Synonym | 4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde |
| IUPAC Name | N-(4-formylphenyl)acetamide |
| InChI Key | SKLUWKYNZNXSLX-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
Glipizide 98.0+%, TCI America™
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CAS: 29094-61-9 Molecular Formula: C21H27N5O4S Molecular Weight (g/mol): 445.538 MDL Number: MFCD00072159 InChI Key: ZJJXGWJIGJFDTL-UHFFFAOYSA-N Synonym: glipizide,glucotrol,glydiazinamide,melizide,glibenese,glucozide,glupizide,sucrazide,dipazide,glupitel PubChem CID: 3478 ChEBI: CHEBI:5384 IUPAC Name: N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-methylpyrazine-2-carboxamide SMILES: CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
| PubChem CID | 3478 |
|---|---|
| CAS | 29094-61-9 |
| Molecular Weight (g/mol) | 445.538 |
| ChEBI | CHEBI:5384 |
| MDL Number | MFCD00072159 |
| SMILES | CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3 |
| Synonym | glipizide,glucotrol,glydiazinamide,melizide,glibenese,glucozide,glupizide,sucrazide,dipazide,glupitel |
| IUPAC Name | N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-methylpyrazine-2-carboxamide |
| InChI Key | ZJJXGWJIGJFDTL-UHFFFAOYSA-N |
| Molecular Formula | C21H27N5O4S |
2,6-Dihydroxy-4-methylbenzoic Acid, TCI America™
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CAS: 480-67-1 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00184686 InChI Key: YBZAVRDNSPUMFK-UHFFFAOYSA-N Synonym: 2,6-Dihydroxy-p-toluic Acid PubChem CID: 68074 IUPAC Name: 2,6-dihydroxy-4-methylbenzoic acid SMILES: CC1=CC(=C(C(=C1)O)C(=O)O)O
| PubChem CID | 68074 |
|---|---|
| CAS | 480-67-1 |
| Molecular Weight (g/mol) | 168.148 |
| MDL Number | MFCD00184686 |
| SMILES | CC1=CC(=C(C(=C1)O)C(=O)O)O |
| Synonym | 2,6-Dihydroxy-p-toluic Acid |
| IUPAC Name | 2,6-dihydroxy-4-methylbenzoic acid |
| InChI Key | YBZAVRDNSPUMFK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
2-Methoxy-6-nitrotoluene 97.0+%, TCI America™
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CAS: 4837-88-1 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00007159 InChI Key: HQCZLEAGIOIIMC-UHFFFAOYSA-N Synonym: 2-methyl-3-nitroanisole,2-methoxy-6-nitrotoluene,benzene, 1-methoxy-2-methyl-3-nitro,1-methoxy-2-methyl-3-nitro-benzene,anisole, 2-methyl-3-nitro,6-methoxy-2-nitrotoluene,1-meo-2-me-3-no2-benzene,3-nitro-2-methyl anisole,3-methoxy-2-methyl-1-nitrobenzene,2-methyl-3-nitroanisole 2-methoxy-6-nitrotoluene PubChem CID: 78554 IUPAC Name: 1-methoxy-2-methyl-3-nitrobenzene SMILES: COC1=CC=CC(=C1C)[N+]([O-])=O
| PubChem CID | 78554 |
|---|---|
| CAS | 4837-88-1 |
| Molecular Weight (g/mol) | 167.16 |
| MDL Number | MFCD00007159 |
| SMILES | COC1=CC=CC(=C1C)[N+]([O-])=O |
| Synonym | 2-methyl-3-nitroanisole,2-methoxy-6-nitrotoluene,benzene, 1-methoxy-2-methyl-3-nitro,1-methoxy-2-methyl-3-nitro-benzene,anisole, 2-methyl-3-nitro,6-methoxy-2-nitrotoluene,1-meo-2-me-3-no2-benzene,3-nitro-2-methyl anisole,3-methoxy-2-methyl-1-nitrobenzene,2-methyl-3-nitroanisole 2-methoxy-6-nitrotoluene |
| IUPAC Name | 1-methoxy-2-methyl-3-nitrobenzene |
| InChI Key | HQCZLEAGIOIIMC-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
(R)-(-)-1,2,3,4-Tetrahydro-1-naphthylamine 98.0+%, TCI America™
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CAS: 23357-46-2 Molecular Formula: C10H13N Molecular Weight (g/mol): 147.221 MDL Number: MFCD00671629 InChI Key: JRZGPXSSNPTNMA-SNVBAGLBSA-N PubChem CID: 7058072 IUPAC Name: (1R)-1,2,3,4-tetrahydronaphthalen-1-amine SMILES: C1CC(C2=CC=CC=C2C1)N
| PubChem CID | 7058072 |
|---|---|
| CAS | 23357-46-2 |
| Molecular Weight (g/mol) | 147.221 |
| MDL Number | MFCD00671629 |
| SMILES | C1CC(C2=CC=CC=C2C1)N |
| IUPAC Name | (1R)-1,2,3,4-tetrahydronaphthalen-1-amine |
| InChI Key | JRZGPXSSNPTNMA-SNVBAGLBSA-N |
| Molecular Formula | C10H13N |
2-(4-Chlorophenyl)-3-methylbutyric Acid 98.0+%, TCI America™
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CAS: 2012-74-0 Molecular Formula: C11H13ClO2 Molecular Weight (g/mol): 212.67 MDL Number: MFCD04112625,MFCD11858304,MFCD00037763 InChI Key: VTJMSIIXXKNIDJ-UHFFFAOYNA-N PubChem CID: 16197 ChEBI: CHEBI:39345 IUPAC Name: 2-(4-chlorophenyl)-3-methylbutanoic acid SMILES: CC(C)C(C(O)=O)C1=CC=C(Cl)C=C1
| PubChem CID | 16197 |
|---|---|
| CAS | 2012-74-0 |
| Molecular Weight (g/mol) | 212.67 |
| ChEBI | CHEBI:39345 |
| MDL Number | MFCD04112625,MFCD11858304,MFCD00037763 |
| SMILES | CC(C)C(C(O)=O)C1=CC=C(Cl)C=C1 |
| IUPAC Name | 2-(4-chlorophenyl)-3-methylbutanoic acid |
| InChI Key | VTJMSIIXXKNIDJ-UHFFFAOYNA-N |
| Molecular Formula | C11H13ClO2 |
3-Chlorostyrene (stabilized with TBC) 98.0+%, TCI America™
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CAS: 2039-85-2 Molecular Formula: C8H7Cl Molecular Weight (g/mol): 138.594 MDL Number: MFCD00000598 InChI Key: BOVQCIDBZXNFEJ-UHFFFAOYSA-N Synonym: 3-chlorostyrene,1-chloro-3-vinylbenzene,m-chlorostyrene,benzene, 1-chloro-3-ethenyl,styrene, m-chloro,unii-11k8g759hc,1-chloro-3-vinyl-benzene,styrene, 3-chloro,meta-chlorostyrene,zlchem 318 PubChem CID: 14905 IUPAC Name: 1-chloro-3-ethenylbenzene SMILES: C=CC1=CC(=CC=C1)Cl
| PubChem CID | 14905 |
|---|---|
| CAS | 2039-85-2 |
| Molecular Weight (g/mol) | 138.594 |
| MDL Number | MFCD00000598 |
| SMILES | C=CC1=CC(=CC=C1)Cl |
| Synonym | 3-chlorostyrene,1-chloro-3-vinylbenzene,m-chlorostyrene,benzene, 1-chloro-3-ethenyl,styrene, m-chloro,unii-11k8g759hc,1-chloro-3-vinyl-benzene,styrene, 3-chloro,meta-chlorostyrene,zlchem 318 |
| IUPAC Name | 1-chloro-3-ethenylbenzene |
| InChI Key | BOVQCIDBZXNFEJ-UHFFFAOYSA-N |
| Molecular Formula | C8H7Cl |
4,4'-Dinitrodiphenyl Ether 99.0+%, TCI America™
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CAS: 101-63-3 Molecular Formula: C12H8N2O5 Molecular Weight (g/mol): 260.205 MDL Number: MFCD00059182 InChI Key: MWAGUKZCDDRDCS-UHFFFAOYSA-N PubChem CID: 7568 IUPAC Name: 1-nitro-4-(4-nitrophenoxy)benzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]
| PubChem CID | 7568 |
|---|---|
| CAS | 101-63-3 |
| Molecular Weight (g/mol) | 260.205 |
| MDL Number | MFCD00059182 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] |
| IUPAC Name | 1-nitro-4-(4-nitrophenoxy)benzene |
| InChI Key | MWAGUKZCDDRDCS-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2O5 |
4,4'-Dinitrodiphenylmethane 99.0+%, TCI America™
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CAS: 1817-74-9 Molecular Formula: C13H10N2O4 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00059184 InChI Key: GLBZQZXDUTUCGK-UHFFFAOYSA-N PubChem CID: 15753 IUPAC Name: 1-nitro-4-[(4-nitrophenyl)methyl]benzene SMILES: [O-][N+](=O)C1=CC=C(CC2=CC=C(C=C2)[N+]([O-])=O)C=C1
| PubChem CID | 15753 |
|---|---|
| CAS | 1817-74-9 |
| Molecular Weight (g/mol) | 258.23 |
| MDL Number | MFCD00059184 |
| SMILES | [O-][N+](=O)C1=CC=C(CC2=CC=C(C=C2)[N+]([O-])=O)C=C1 |
| IUPAC Name | 1-nitro-4-[(4-nitrophenyl)methyl]benzene |
| InChI Key | GLBZQZXDUTUCGK-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2O4 |