Benzenoids
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Fluconazole 98.0+%, TCI America™
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CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.277 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N Synonym: fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol PubChem CID: 3365 ChEBI: CHEBI:46081 IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
| PubChem CID | 3365 |
|---|---|
| CAS | 86386-73-4 |
| Molecular Weight (g/mol) | 306.277 |
| ChEBI | CHEBI:46081 |
| SMILES | C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O |
| Synonym | fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol |
| IUPAC Name | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol |
| InChI Key | RFHAOTPXVQNOHP-UHFFFAOYSA-N |
| Molecular Formula | C13H12F2N6O |
4-Nitrophenyl Laurate 98.0+%, TCI America™
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CAS: 1956-11-2 Molecular Formula: C18H27NO4 Molecular Weight (g/mol): 321.42 MDL Number: MFCD00047730 InChI Key: YNGNVZFHHJEZKD-UHFFFAOYSA-N Synonym: Lauric Acid 4-Nitrophenyl Ester PubChem CID: 74778 IUPAC Name: (4-nitrophenyl) dodecanoate SMILES: CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 74778 |
|---|---|
| CAS | 1956-11-2 |
| Molecular Weight (g/mol) | 321.42 |
| MDL Number | MFCD00047730 |
| SMILES | CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | Lauric Acid 4-Nitrophenyl Ester |
| IUPAC Name | (4-nitrophenyl) dodecanoate |
| InChI Key | YNGNVZFHHJEZKD-UHFFFAOYSA-N |
| Molecular Formula | C18H27NO4 |
2,4,6-Tribromobenzoic Acid 98.0+%, TCI America™
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CAS: 633-12-5 Molecular Formula: C7H3Br3O2 Molecular Weight (g/mol): 358.811 MDL Number: MFCD00059882 InChI Key: GHVMJSHEGZYRQL-UHFFFAOYSA-N PubChem CID: 246577 IUPAC Name: 2,4,6-tribromobenzoic acid SMILES: C1=C(C=C(C(=C1Br)C(=O)O)Br)Br
| PubChem CID | 246577 |
|---|---|
| CAS | 633-12-5 |
| Molecular Weight (g/mol) | 358.811 |
| MDL Number | MFCD00059882 |
| SMILES | C1=C(C=C(C(=C1Br)C(=O)O)Br)Br |
| IUPAC Name | 2,4,6-tribromobenzoic acid |
| InChI Key | GHVMJSHEGZYRQL-UHFFFAOYSA-N |
| Molecular Formula | C7H3Br3O2 |
1-Benzyl-3-acetamidopyrrolidine 98.0+%, TCI America™
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CAS: 28506-01-6 Molecular Formula: C13H18N2O Molecular Weight (g/mol): 218.3 MDL Number: MFCD00059037 InChI Key: CMSWETNAAPYFSH-UHFFFAOYSA-N Synonym: 3-Acetamido-1-benzylpyrrolidine PubChem CID: 4198339 IUPAC Name: N-(1-benzylpyrrolidin-3-yl)acetamide SMILES: CC(=O)NC1CCN(C1)CC2=CC=CC=C2
| PubChem CID | 4198339 |
|---|---|
| CAS | 28506-01-6 |
| Molecular Weight (g/mol) | 218.3 |
| MDL Number | MFCD00059037 |
| SMILES | CC(=O)NC1CCN(C1)CC2=CC=CC=C2 |
| Synonym | 3-Acetamido-1-benzylpyrrolidine |
| IUPAC Name | N-(1-benzylpyrrolidin-3-yl)acetamide |
| InChI Key | CMSWETNAAPYFSH-UHFFFAOYSA-N |
| Molecular Formula | C13H18N2O |
2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid 98.0+%, TCI America™
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CAS: 5211-44-9 Molecular Formula: C7H2F4O2S Molecular Weight (g/mol): 226.14 MDL Number: MFCD00129954 InChI Key: USFMEWZQIHKRDP-UHFFFAOYSA-N PubChem CID: 297543 IUPAC Name: 2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid SMILES: OC(=O)C1=C(F)C(F)=C(S)C(F)=C1F
| PubChem CID | 297543 |
|---|---|
| CAS | 5211-44-9 |
| Molecular Weight (g/mol) | 226.14 |
| MDL Number | MFCD00129954 |
| SMILES | OC(=O)C1=C(F)C(F)=C(S)C(F)=C1F |
| IUPAC Name | 2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid |
| InChI Key | USFMEWZQIHKRDP-UHFFFAOYSA-N |
| Molecular Formula | C7H2F4O2S |
Methyl Caffeate 98.0+%, TCI America™
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CAS: 3843-74-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00210468 InChI Key: OCNYGKNIVPVPPX-HWKANZROSA-N Synonym: methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 PubChem CID: 689075 ChEBI: CHEBI:6856 IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O
| PubChem CID | 689075 |
|---|---|
| CAS | 3843-74-1 |
| Molecular Weight (g/mol) | 194.186 |
| ChEBI | CHEBI:6856 |
| MDL Number | MFCD00210468 |
| SMILES | COC(=O)C=CC1=CC(=C(C=C1)O)O |
| Synonym | methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 |
| IUPAC Name | methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| InChI Key | OCNYGKNIVPVPPX-HWKANZROSA-N |
| Molecular Formula | C10H10O4 |
1-Hydroxypyrene 98.0+%, TCI America™
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CAS: 5315-79-7 Molecular Formula: C16H10O Molecular Weight (g/mol): 218.255 MDL Number: MFCD00044543 InChI Key: BIJNHUAPTJVVNQ-UHFFFAOYSA-N Synonym: 1-hydroxypyrene,1-pyrenol,3-hydroxypyrene,pyrenol,unii-n2h6o5v707,hydroxypyrene,1-hydroxy-pyrene,3-pyrenol,1-pyrenol 8ci PubChem CID: 21387 ChEBI: CHEBI:34093 IUPAC Name: pyren-1-ol SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
| PubChem CID | 21387 |
|---|---|
| CAS | 5315-79-7 |
| Molecular Weight (g/mol) | 218.255 |
| ChEBI | CHEBI:34093 |
| MDL Number | MFCD00044543 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O |
| Synonym | 1-hydroxypyrene,1-pyrenol,3-hydroxypyrene,pyrenol,unii-n2h6o5v707,hydroxypyrene,1-hydroxy-pyrene,3-pyrenol,1-pyrenol 8ci |
| IUPAC Name | pyren-1-ol |
| InChI Key | BIJNHUAPTJVVNQ-UHFFFAOYSA-N |
| Molecular Formula | C16H10O |
4-[(6-Acryloyloxy)hexyloxy]-4'-cyanobiphenyl 98.0+%, TCI America™
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CAS: 89823-23-4 Molecular Formula: C22H23NO3 Molecular Weight (g/mol): 349.43 MDL Number: MFCD16293619 InChI Key: IGHSOWSFSFGPAZ-UHFFFAOYSA-N PubChem CID: 11416795 IUPAC Name: 6-[4-(4-cyanophenyl)phenoxy]hexyl prop-2-enoate SMILES: C=CC(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 11416795 |
|---|---|
| CAS | 89823-23-4 |
| Molecular Weight (g/mol) | 349.43 |
| MDL Number | MFCD16293619 |
| SMILES | C=CC(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| IUPAC Name | 6-[4-(4-cyanophenyl)phenoxy]hexyl prop-2-enoate |
| InChI Key | IGHSOWSFSFGPAZ-UHFFFAOYSA-N |
| Molecular Formula | C22H23NO3 |
3,3″-Dibromo-1,1':2',1″-terphenyl 98.0+%, TCI America™
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Loperamide Hydrochloride 98.0+%, TCI America™
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CAS: 34552-83-5 Molecular Formula: C29H34Cl2N2O2 Molecular Weight (g/mol): 513.503 MDL Number: MFCD00058581 InChI Key: PGYPOBZJRVSMDS-UHFFFAOYSA-N Synonym: loperamide hydrochloride,loperamide hcl,imodium,suprasec,dissenten,fortasec,lopemid,lopemin,loperyl,imosec PubChem CID: 71420 ChEBI: CHEBI:6533 IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;hydrochloride SMILES: CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
| PubChem CID | 71420 |
|---|---|
| CAS | 34552-83-5 |
| Molecular Weight (g/mol) | 513.503 |
| ChEBI | CHEBI:6533 |
| MDL Number | MFCD00058581 |
| SMILES | CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl |
| Synonym | loperamide hydrochloride,loperamide hcl,imodium,suprasec,dissenten,fortasec,lopemid,lopemin,loperyl,imosec |
| IUPAC Name | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;hydrochloride |
| InChI Key | PGYPOBZJRVSMDS-UHFFFAOYSA-N |
| Molecular Formula | C29H34Cl2N2O2 |
4-Cyano-4'-pentyloxybiphenyl 98.0+%, TCI America™
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CAS: 52364-71-3 Molecular Formula: C18H19NO Molecular Weight (g/mol): 265.356 MDL Number: MFCD00074879 InChI Key: RDISTOCQRJJICR-UHFFFAOYSA-N Synonym: 4'-pentyloxy-1,1'-biphenyl-4-carbonitrile,4-cyano-4'-pentyloxybiphenyl,4-pentyloxy-4'-cyanobiphenyl,4-amyloxycyanodiphenyl,5ocb,1,1'-biphenyl-4-carbonitrile, 4'-pentyloxy,4'-pentyloxy biphenyl-4-carbonitrile,5cob,m 15 liquid crystal,nzh k 1 PubChem CID: 104171 IUPAC Name: 4-(4-pentoxyphenyl)benzonitrile SMILES: CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 104171 |
|---|---|
| CAS | 52364-71-3 |
| Molecular Weight (g/mol) | 265.356 |
| MDL Number | MFCD00074879 |
| SMILES | CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| Synonym | 4'-pentyloxy-1,1'-biphenyl-4-carbonitrile,4-cyano-4'-pentyloxybiphenyl,4-pentyloxy-4'-cyanobiphenyl,4-amyloxycyanodiphenyl,5ocb,1,1'-biphenyl-4-carbonitrile, 4'-pentyloxy,4'-pentyloxy biphenyl-4-carbonitrile,5cob,m 15 liquid crystal,nzh k 1 |
| IUPAC Name | 4-(4-pentoxyphenyl)benzonitrile |
| InChI Key | RDISTOCQRJJICR-UHFFFAOYSA-N |
| Molecular Formula | C18H19NO |
4-Bromo-4'-methylbiphenyl 98.0+%, TCI America™
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CAS: 50670-49-0 Molecular Formula: C13H11Br Molecular Weight (g/mol): 247.14 MDL Number: MFCD00466236 InChI Key: MYWLXURJCXISCT-UHFFFAOYSA-N Synonym: 4-bromo-4'-methylbiphenyl,4-bromo-4'-methyl-1,1'-biphenyl,1,1'-biphenyl, 4-bromo-4'-methyl,biphenyl, 4-bromo-4'-methyl,4-bromo-4'-methyl-biphenyl,1-bromo-4-4-methylphenyl benzene,1-4-bromophenyl-4-methylbenzene,4-brromo-4-methylbiphenyl,4-brom-4'-methyl-biphenyl,4'-bromo-4-methyl-biphenyl PubChem CID: 521291 IUPAC Name: 4-bromo-4'-methyl-1,1'-biphenyl SMILES: CC1=CC=C(C=C1)C1=CC=C(Br)C=C1
| PubChem CID | 521291 |
|---|---|
| CAS | 50670-49-0 |
| Molecular Weight (g/mol) | 247.14 |
| MDL Number | MFCD00466236 |
| SMILES | CC1=CC=C(C=C1)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromo-4'-methylbiphenyl,4-bromo-4'-methyl-1,1'-biphenyl,1,1'-biphenyl, 4-bromo-4'-methyl,biphenyl, 4-bromo-4'-methyl,4-bromo-4'-methyl-biphenyl,1-bromo-4-4-methylphenyl benzene,1-4-bromophenyl-4-methylbenzene,4-brromo-4-methylbiphenyl,4-brom-4'-methyl-biphenyl,4'-bromo-4-methyl-biphenyl |
| IUPAC Name | 4-bromo-4'-methyl-1,1'-biphenyl |
| InChI Key | MYWLXURJCXISCT-UHFFFAOYSA-N |
| Molecular Formula | C13H11Br |
4-Cyano-4'-heptylbiphenyl 95.0+%, TCI America™
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CAS: 41122-71-8 Molecular Formula: C20H23N Molecular Weight (g/mol): 277.411 MDL Number: MFCD00074915 InChI Key: ZGOWXOZNUNZPAV-UHFFFAOYSA-N Synonym: 4-cyano-4'-heptylbiphenyl,4'-heptyl-1,1'-biphenyl-4-carbonitrile,4'-heptyl-4-biphenylcarbonitrile,1,1'-biphenyl-4-carbonitrile, 4'-heptyl,4-cyano-4'-n-heptylbiphenyl,4-4-heptylphenyl benzonitrile,4-heptyl-4'-cyanobiphenyl,4-cyano-4'-n-heptyl-biphenyl,4'-heptylbiphenyl-4-carbonitrile,4-4-heptylphenyl benzenecarbonitrile PubChem CID: 170468 IUPAC Name: 4-(4-heptylphenyl)benzonitrile SMILES: CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 170468 |
|---|---|
| CAS | 41122-71-8 |
| Molecular Weight (g/mol) | 277.411 |
| MDL Number | MFCD00074915 |
| SMILES | CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| Synonym | 4-cyano-4'-heptylbiphenyl,4'-heptyl-1,1'-biphenyl-4-carbonitrile,4'-heptyl-4-biphenylcarbonitrile,1,1'-biphenyl-4-carbonitrile, 4'-heptyl,4-cyano-4'-n-heptylbiphenyl,4-4-heptylphenyl benzonitrile,4-heptyl-4'-cyanobiphenyl,4-cyano-4'-n-heptyl-biphenyl,4'-heptylbiphenyl-4-carbonitrile,4-4-heptylphenyl benzenecarbonitrile |
| IUPAC Name | 4-(4-heptylphenyl)benzonitrile |
| InChI Key | ZGOWXOZNUNZPAV-UHFFFAOYSA-N |
| Molecular Formula | C20H23N |
Benzaldehyde Phenylhydrazone 98.0+%, TCI America™
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CAS: 588-64-7 Molecular Formula: C13H12N2 Molecular Weight (g/mol): 196.253 MDL Number: MFCD00051318 InChI Key: JGOAZQAXRONCCI-SDNWHVSQSA-N PubChem CID: 6436752 IUPAC Name: N-[(E)-benzylideneamino]aniline SMILES: C1=CC=C(C=C1)C=NNC2=CC=CC=C2
| PubChem CID | 6436752 |
|---|---|
| CAS | 588-64-7 |
| Molecular Weight (g/mol) | 196.253 |
| MDL Number | MFCD00051318 |
| SMILES | C1=CC=C(C=C1)C=NNC2=CC=CC=C2 |
| IUPAC Name | N-[(E)-benzylideneamino]aniline |
| InChI Key | JGOAZQAXRONCCI-SDNWHVSQSA-N |
| Molecular Formula | C13H12N2 |
Sodium 4-Acetamidobenzenesulfinate Dihydrate 98.0+%, TCI America™
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CAS: 15898-43-8 Molecular Formula: C8H12NNaO5S Molecular Weight (g/mol): 257.236 MDL Number: MFCD04113633 InChI Key: LKRSHPGOHITHSF-UHFFFAOYSA-M Synonym: 4-Acetamidobenzenesulfinic Acid Sodium Salt PubChem CID: 70699978 IUPAC Name: sodium;4-acetamidobenzenesulfinate;dihydrate SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)[O-].O.O.[Na+]
| PubChem CID | 70699978 |
|---|---|
| CAS | 15898-43-8 |
| Molecular Weight (g/mol) | 257.236 |
| MDL Number | MFCD04113633 |
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)[O-].O.O.[Na+] |
| Synonym | 4-Acetamidobenzenesulfinic Acid Sodium Salt |
| IUPAC Name | sodium;4-acetamidobenzenesulfinate;dihydrate |
| InChI Key | LKRSHPGOHITHSF-UHFFFAOYSA-M |
| Molecular Formula | C8H12NNaO5S |