Benzenoids
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2,3,6,7,10,11-Hexakis(hexyloxy)triphenylene 98.0+%, TCI America™
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CAS: 70351-86-9 Molecular Formula: C54H84O6 Molecular Weight (g/mol): 829.26 MDL Number: MFCD16250223 InChI Key: SQYCPYUKCAKHRN-UHFFFAOYSA-N PubChem CID: 10941839 IUPAC Name: 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene SMILES: CCCCCCOC1=C(OCCCCCC)C=C2C(=C1)C1=CC(OCCCCCC)=C(OCCCCCC)C=C1C1=CC(OCCCCCC)=C(OCCCCCC)C=C21
| PubChem CID | 10941839 |
|---|---|
| CAS | 70351-86-9 |
| Molecular Weight (g/mol) | 829.26 |
| MDL Number | MFCD16250223 |
| SMILES | CCCCCCOC1=C(OCCCCCC)C=C2C(=C1)C1=CC(OCCCCCC)=C(OCCCCCC)C=C1C1=CC(OCCCCCC)=C(OCCCCCC)C=C21 |
| IUPAC Name | 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene |
| InChI Key | SQYCPYUKCAKHRN-UHFFFAOYSA-N |
| Molecular Formula | C54H84O6 |
Bromhexine Hydrochloride 98.0+%, TCI America™
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CAS: 611-75-6 Molecular Formula: C14H21Br2ClN2 Molecular Weight (g/mol): 412.59 MDL Number: MFCD00056626 InChI Key: SXIVGYTWSVJOLM-UHFFFAOYNA-N Synonym: bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v PubChem CID: 5702220 ChEBI: CHEBI:31303 IUPAC Name: hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride SMILES: [H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N
| PubChem CID | 5702220 |
|---|---|
| CAS | 611-75-6 |
| Molecular Weight (g/mol) | 412.59 |
| ChEBI | CHEBI:31303 |
| MDL Number | MFCD00056626 |
| SMILES | [H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N |
| Synonym | bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v |
| IUPAC Name | hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride |
| InChI Key | SXIVGYTWSVJOLM-UHFFFAOYNA-N |
| Molecular Formula | C14H21Br2ClN2 |
3,4'-Diaminodiphenylmethane 98.0+%, TCI America™
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CAS: 19430-83-2 Molecular Formula: C13H14N2 Molecular Weight (g/mol): 198.269 MDL Number: MFCD00014778 InChI Key: FGWQCROGAHMWSU-UHFFFAOYSA-N PubChem CID: 146674 IUPAC Name: 3-[(4-aminophenyl)methyl]aniline SMILES: C1=CC(=CC(=C1)N)CC2=CC=C(C=C2)N
| PubChem CID | 146674 |
|---|---|
| CAS | 19430-83-2 |
| Molecular Weight (g/mol) | 198.269 |
| MDL Number | MFCD00014778 |
| SMILES | C1=CC(=CC(=C1)N)CC2=CC=C(C=C2)N |
| IUPAC Name | 3-[(4-aminophenyl)methyl]aniline |
| InChI Key | FGWQCROGAHMWSU-UHFFFAOYSA-N |
| Molecular Formula | C13H14N2 |
2,7-Dihydroxy-9H-fluoren-9-one 98.0+%, TCI America™
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CAS: 42523-29-5 Molecular Formula: C13H8O3 Molecular Weight (g/mol): 212.20 MDL Number: MFCD00037141 InChI Key: CWHPQXRTQSNTRR-UHFFFAOYSA-N PubChem CID: 4354181 IUPAC Name: 2,7-dihydroxy-9H-fluoren-9-one SMILES: OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C2=O
| PubChem CID | 4354181 |
|---|---|
| CAS | 42523-29-5 |
| Molecular Weight (g/mol) | 212.20 |
| MDL Number | MFCD00037141 |
| SMILES | OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C2=O |
| IUPAC Name | 2,7-dihydroxy-9H-fluoren-9-one |
| InChI Key | CWHPQXRTQSNTRR-UHFFFAOYSA-N |
| Molecular Formula | C13H8O3 |
4-(Trifluoromethoxy)anisole 97.0+%, TCI America™
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CAS: 710-18-9 Molecular Formula: C8H7F3O2 Molecular Weight (g/mol): 192.137 MDL Number: MFCD00216942 InChI Key: NOAFZIOGGDPYKK-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3 PubChem CID: 2724973 IUPAC Name: 1-methoxy-4-(trifluoromethoxy)benzene SMILES: COC1=CC=C(C=C1)OC(F)(F)F
| PubChem CID | 2724973 |
|---|---|
| CAS | 710-18-9 |
| Molecular Weight (g/mol) | 192.137 |
| MDL Number | MFCD00216942 |
| SMILES | COC1=CC=C(C=C1)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3 |
| IUPAC Name | 1-methoxy-4-(trifluoromethoxy)benzene |
| InChI Key | NOAFZIOGGDPYKK-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O2 |
4-Methoxyphenylacetic Anhydride 98.0+%, TCI America™
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CAS: 3951-10-8 Molecular Formula: C18H18O5 Molecular Weight (g/mol): 314.34 MDL Number: MFCD00059089 InChI Key: KYCAEIXHUXBNTQ-UHFFFAOYSA-N PubChem CID: 14086930 IUPAC Name: [2-(4-methoxyphenyl)acetyl] 2-(4-methoxyphenyl)acetate SMILES: COC1=CC=C(C=C1)CC(=O)OC(=O)CC2=CC=C(C=C2)OC
| PubChem CID | 14086930 |
|---|---|
| CAS | 3951-10-8 |
| Molecular Weight (g/mol) | 314.34 |
| MDL Number | MFCD00059089 |
| SMILES | COC1=CC=C(C=C1)CC(=O)OC(=O)CC2=CC=C(C=C2)OC |
| IUPAC Name | [2-(4-methoxyphenyl)acetyl] 2-(4-methoxyphenyl)acetate |
| InChI Key | KYCAEIXHUXBNTQ-UHFFFAOYSA-N |
| Molecular Formula | C18H18O5 |
4-(1-Propenyl)-1,2-dimethoxybenzene 98.0+%, TCI America™
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CAS: 93-16-3 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009282 InChI Key: NNWHUJCUHAELCL-PLNGDYQASA-N Synonym: 1,2-Dimethoxy-4-(1-propenyl)benzene, O-Methyl Isoeugenol, 4-(1-Propenyl)pyrocatechol Dimethyl Ether PubChem CID: 1549045 ChEBI: CHEBI:50550 IUPAC Name: 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene SMILES: CC=CC1=CC(=C(C=C1)OC)OC
| PubChem CID | 1549045 |
|---|---|
| CAS | 93-16-3 |
| Molecular Weight (g/mol) | 178.231 |
| ChEBI | CHEBI:50550 |
| MDL Number | MFCD00009282 |
| SMILES | CC=CC1=CC(=C(C=C1)OC)OC |
| Synonym | 1,2-Dimethoxy-4-(1-propenyl)benzene, O-Methyl Isoeugenol, 4-(1-Propenyl)pyrocatechol Dimethyl Ether |
| IUPAC Name | 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene |
| InChI Key | NNWHUJCUHAELCL-PLNGDYQASA-N |
| Molecular Formula | C11H14O2 |
1-Benzyl-3-aminopyrrolidine 97.0+%, TCI America™
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CAS: 18471-40-4 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 MDL Number: MFCD00059036 InChI Key: HBVNLKQGRZPGRP-UHFFFAOYSA-N Synonym: 3-Amino-1-benzylpyrrolidine PubChem CID: 2756613 IUPAC Name: 1-benzylpyrrolidin-3-amine SMILES: C1CN(CC1N)CC2=CC=CC=C2
| PubChem CID | 2756613 |
|---|---|
| CAS | 18471-40-4 |
| Molecular Weight (g/mol) | 176.263 |
| MDL Number | MFCD00059036 |
| SMILES | C1CN(CC1N)CC2=CC=CC=C2 |
| Synonym | 3-Amino-1-benzylpyrrolidine |
| IUPAC Name | 1-benzylpyrrolidin-3-amine |
| InChI Key | HBVNLKQGRZPGRP-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2 |
4,4'-Methylenebis(benzenesulfonyl Chloride) 95.0+%, TCI America™
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CAS: 3119-64-0 Molecular Formula: C13H10Cl2O4S2 Molecular Weight (g/mol): 365.24 MDL Number: MFCD00012363 InChI Key: YKMMQCFZCFAHOU-UHFFFAOYSA-N Synonym: Bis(4-chlorosulfonylphenyl)methane PubChem CID: 3368486 IUPAC Name: 4-{[4-(chlorosulfonyl)phenyl]methyl}benzene-1-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=C(CC2=CC=C(C=C2)S(Cl)(=O)=O)C=C1
| PubChem CID | 3368486 |
|---|---|
| CAS | 3119-64-0 |
| Molecular Weight (g/mol) | 365.24 |
| MDL Number | MFCD00012363 |
| SMILES | ClS(=O)(=O)C1=CC=C(CC2=CC=C(C=C2)S(Cl)(=O)=O)C=C1 |
| Synonym | Bis(4-chlorosulfonylphenyl)methane |
| IUPAC Name | 4-{[4-(chlorosulfonyl)phenyl]methyl}benzene-1-sulfonyl chloride |
| InChI Key | YKMMQCFZCFAHOU-UHFFFAOYSA-N |
| Molecular Formula | C13H10Cl2O4S2 |
1-Bromo-4-cyclohexylbenzene 97.0+%, TCI America™
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CAS: 25109-28-8 Molecular Formula: C12H15Br Molecular Weight (g/mol): 239.156 InChI Key: LVIJLEREXMVRAN-UHFFFAOYSA-N Synonym: p-bromocyclohexylbenzene,1-brom-4-cyclohexylbenzol,zlchem 88,4-cyclohexylbromobenzene,4-bromophenylcyclohexane,acmc-1ccsm,4-bromo-1-cyclohexylbenzene,1-bromo-4-cyclohexyl-benzene,benzene, 1-bromo-4-cyclohexyl,lvijlerexmvran-uhfffaoysa PubChem CID: 90718 IUPAC Name: 1-bromo-4-cyclohexylbenzene SMILES: C1CCC(CC1)C2=CC=C(C=C2)Br
| PubChem CID | 90718 |
|---|---|
| CAS | 25109-28-8 |
| Molecular Weight (g/mol) | 239.156 |
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)Br |
| Synonym | p-bromocyclohexylbenzene,1-brom-4-cyclohexylbenzol,zlchem 88,4-cyclohexylbromobenzene,4-bromophenylcyclohexane,acmc-1ccsm,4-bromo-1-cyclohexylbenzene,1-bromo-4-cyclohexyl-benzene,benzene, 1-bromo-4-cyclohexyl,lvijlerexmvran-uhfffaoysa |
| IUPAC Name | 1-bromo-4-cyclohexylbenzene |
| InChI Key | LVIJLEREXMVRAN-UHFFFAOYSA-N |
| Molecular Formula | C12H15Br |
6-Amino-2-naphthalenesulfonic Acid Monohydrate 98.0+%, TCI America™
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CAS: 93-00-5 Molecular Formula: C10H9NO3S Molecular Weight (g/mol): 223.246 MDL Number: MFCD04038015 InChI Key: SEMRCUIXRUXGJX-UHFFFAOYSA-N PubChem CID: 7116 ChEBI: CHEBI:20700 IUPAC Name: 6-aminonaphthalene-2-sulfonic acid SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1N
| PubChem CID | 7116 |
|---|---|
| CAS | 93-00-5 |
| Molecular Weight (g/mol) | 223.246 |
| ChEBI | CHEBI:20700 |
| MDL Number | MFCD04038015 |
| SMILES | C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1N |
| IUPAC Name | 6-aminonaphthalene-2-sulfonic acid |
| InChI Key | SEMRCUIXRUXGJX-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3S |
2-Phenoxyethanol 98.5+%, TCI America™
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CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO
| PubChem CID | 31236 |
|---|---|
| CAS | 122-99-6 |
| Molecular Weight (g/mol) | 138.166 |
| ChEBI | CHEBI:64275 |
| MDL Number | MFCD00002857 |
| SMILES | C1=CC=C(C=C1)OCCO |
| Synonym | phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane |
| IUPAC Name | 2-phenoxyethanol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
N-(3-Chlorophenyl)anthranilic Acid 98.0+%, TCI America™
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CAS: 13278-36-9 Molecular Formula: C13H10ClNO2 Molecular Weight (g/mol): 247.68 MDL Number: MFCD01928172 InChI Key: OVMWPVYEBVFZHM-UHFFFAOYSA-N Synonym: 2-[(3-Chlorophenyl)amino]benzoic Acid, 2-(3-Chloroanilino)benzoic Acid PubChem CID: 83293 IUPAC Name: 2-[(3-chlorophenyl)amino]benzoic acid SMILES: OC(=O)C1=CC=CC=C1NC1=CC=CC(Cl)=C1
| PubChem CID | 83293 |
|---|---|
| CAS | 13278-36-9 |
| Molecular Weight (g/mol) | 247.68 |
| MDL Number | MFCD01928172 |
| SMILES | OC(=O)C1=CC=CC=C1NC1=CC=CC(Cl)=C1 |
| Synonym | 2-[(3-Chlorophenyl)amino]benzoic Acid, 2-(3-Chloroanilino)benzoic Acid |
| IUPAC Name | 2-[(3-chlorophenyl)amino]benzoic acid |
| InChI Key | OVMWPVYEBVFZHM-UHFFFAOYSA-N |
| Molecular Formula | C13H10ClNO2 |
2,4-Dichlorobenzamide 98.0+%, TCI America™
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CAS: 2447-79-2 Molecular Formula: C7H5Cl2NO Molecular Weight (g/mol): 190.023 MDL Number: MFCD00007974 InChI Key: XXFUNTSOBHSMBU-UHFFFAOYSA-N Synonym: benzamide, 2,4-dichloro,unii-zx274bu5ra,zx274bu5ra,2,4-dichloro-benzamide,acmc-1crzq,xxfuntsobhsmbu-uhfffaoysa PubChem CID: 75556 IUPAC Name: 2,4-dichlorobenzamide SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)N
| PubChem CID | 75556 |
|---|---|
| CAS | 2447-79-2 |
| Molecular Weight (g/mol) | 190.023 |
| MDL Number | MFCD00007974 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)N |
| Synonym | benzamide, 2,4-dichloro,unii-zx274bu5ra,zx274bu5ra,2,4-dichloro-benzamide,acmc-1crzq,xxfuntsobhsmbu-uhfffaoysa |
| IUPAC Name | 2,4-dichlorobenzamide |
| InChI Key | XXFUNTSOBHSMBU-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl2NO |
3-Fluoro-p-cresol 98.0+%, TCI America™
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CAS: 452-78-8 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00143164 InChI Key: GJOOCAXPERKNMN-UHFFFAOYSA-N Synonym: 3-fluoro-p-cresol,3-fluoro-4-methyl-phenol,2-fluoro-4-hydroxytoluene,phenol, 3-fluoro-4-methyl,pubchem1499,3-fluoro-4-methyl phenol,acmc-209k1q,3-fluoranyl-4-methyl-phenol,ksc494a2d PubChem CID: 2774613 IUPAC Name: 3-fluoro-4-methylphenol SMILES: CC1=C(C=C(C=C1)O)F
| PubChem CID | 2774613 |
|---|---|
| CAS | 452-78-8 |
| Molecular Weight (g/mol) | 126.13 |
| MDL Number | MFCD00143164 |
| SMILES | CC1=C(C=C(C=C1)O)F |
| Synonym | 3-fluoro-p-cresol,3-fluoro-4-methyl-phenol,2-fluoro-4-hydroxytoluene,phenol, 3-fluoro-4-methyl,pubchem1499,3-fluoro-4-methyl phenol,acmc-209k1q,3-fluoranyl-4-methyl-phenol,ksc494a2d |
| IUPAC Name | 3-fluoro-4-methylphenol |
| InChI Key | GJOOCAXPERKNMN-UHFFFAOYSA-N |
| Molecular Formula | C7H7FO |