Benzenoids
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Cinnarizine
CAS: 298-57-7 Molecular Formula: C26H28N2 Molecular Weight (g/mol): 368.524 MDL Number: MFCD00056037 InChI Key: DERZBLKQOCDDDZ-JLHYYAGUSA-N Synonym: cinnarizine,stugeron,dimitronal,stutgin,dimitron,folcodal,midronal,mitronal,stutgeron,glanil PubChem CID: 1547484 ChEBI: CHEBI:31403 IUPAC Name: 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine SMILES: C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
| PubChem CID | 1547484 |
|---|---|
| CAS | 298-57-7 |
| Molecular Weight (g/mol) | 368.524 |
| ChEBI | CHEBI:31403 |
| MDL Number | MFCD00056037 |
| SMILES | C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
| Synonym | cinnarizine,stugeron,dimitronal,stutgin,dimitron,folcodal,midronal,mitronal,stutgeron,glanil |
| IUPAC Name | 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine |
| InChI Key | DERZBLKQOCDDDZ-JLHYYAGUSA-N |
| Molecular Formula | C26H28N2 |
Ketoprofen, Micronized, USP, 98.5-101%, Spectrum™ Chemical
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CAS: 22071-15-4 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.29 InChI Key: DKYWVDODHFEZIM-UHFFFAOYNA-N IUPAC Name: 2-(3-benzoylphenyl)propanoic acid SMILES: CC(C(O)=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1
| CAS | 22071-15-4 |
|---|---|
| Molecular Weight (g/mol) | 254.29 |
| SMILES | CC(C(O)=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1 |
| IUPAC Name | 2-(3-benzoylphenyl)propanoic acid |
| InChI Key | DKYWVDODHFEZIM-UHFFFAOYNA-N |
| Molecular Formula | C16H14O3 |
5-Sulfosalicylic Acid, Dihydrate, Technical, 98%, Spectrum™ Chemical
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CAS: 5965-83-3
| CAS | 5965-83-3 |
|---|
Fullerene powder, 99% C{6}{0}
CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00282904 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
| PubChem CID | 123591 |
|---|---|
| CAS | 99685-96-8 |
| Molecular Weight (g/mol) | 720.66 |
| ChEBI | CHEBI:33128 |
| MDL Number | MFCD00282904 |
| SMILES | C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41 |
| Synonym | fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih |
| IUPAC Name | (C\{60}-I\{h})[5,6]fullerene |
| InChI Key | XMWRBQBLMFGWIX-UHFFFAOYSA-N |
| Molecular Formula | C60 |
Fluconazole, USP, 98-102%, Spectrum™ Chemical
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CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.28 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol SMILES: OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F
| CAS | 86386-73-4 |
|---|---|
| Molecular Weight (g/mol) | 306.28 |
| SMILES | OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F |
| IUPAC Name | 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol |
| InChI Key | RFHAOTPXVQNOHP-UHFFFAOYSA-N |
| Molecular Formula | C13H12F2N6O |
Tetrakis(triphenylphosphine)palladium(0), Approx. 99%, Spectrum™ Chemical
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CAS: 14221-01-3 Molecular Formula: C72H60P4Pd Molecular Weight (g/mol): 1155.59 MDL Number: MFCD00010012 InChI Key: NFHFRUOZVGFOOS-UHFFFAOYSA-N IUPAC Name: tetrakis(triphenylphosphane) palladium SMILES: [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| CAS | 14221-01-3 |
|---|---|
| Molecular Weight (g/mol) | 1155.59 |
| MDL Number | MFCD00010012 |
| SMILES | [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | tetrakis(triphenylphosphane) palladium |
| InChI Key | NFHFRUOZVGFOOS-UHFFFAOYSA-N |
| Molecular Formula | C72H60P4Pd |
Niclosamide, Anhydrous, BP, 98-101%, Spectrum™ Chemical
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CAS: 50-65-7 Molecular Formula: C13H8Cl2N2O4 Molecular Weight (g/mol): 327.12 MDL Number: MFCD00057597 InChI Key: RJMUSRYZPJIFPJ-UHFFFAOYSA-N IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide SMILES: OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O
| CAS | 50-65-7 |
|---|---|
| Molecular Weight (g/mol) | 327.12 |
| MDL Number | MFCD00057597 |
| SMILES | OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O |
| IUPAC Name | 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide |
| InChI Key | RJMUSRYZPJIFPJ-UHFFFAOYSA-N |
| Molecular Formula | C13H8Cl2N2O4 |
2-Fluoro-1,4-dimethoxybenzene, 97%, Thermo Scientific Chemicals
CAS: 82830-49-7 Molecular Formula: C8H9FO2 Molecular Weight (g/mol): 156.156 MDL Number: MFCD00042487 InChI Key: WNCYZVMZKSOPMU-UHFFFAOYSA-N Synonym: 1,4-dimethoxy-2-fluorobenzene,2,5-dimethoxyfluorobenzene,2,5-dimethoxy-1-fluorobenzene,benzene, 2-fluoro-1,4-dimethoxy,pubchem3050,acmc-209pql,3-fluoro-1,4-dimethoxybenzene,benzene,2-fluoro-1,4-dimethoxy,2-fluoranyl-1,4-dimethoxy-benzene,2-fluorohydroquinone dimethyl ether PubChem CID: 145002 IUPAC Name: 2-fluoro-1,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)OC)F
| PubChem CID | 145002 |
|---|---|
| CAS | 82830-49-7 |
| Molecular Weight (g/mol) | 156.156 |
| MDL Number | MFCD00042487 |
| SMILES | COC1=CC(=C(C=C1)OC)F |
| Synonym | 1,4-dimethoxy-2-fluorobenzene,2,5-dimethoxyfluorobenzene,2,5-dimethoxy-1-fluorobenzene,benzene, 2-fluoro-1,4-dimethoxy,pubchem3050,acmc-209pql,3-fluoro-1,4-dimethoxybenzene,benzene,2-fluoro-1,4-dimethoxy,2-fluoranyl-1,4-dimethoxy-benzene,2-fluorohydroquinone dimethyl ether |
| IUPAC Name | 2-fluoro-1,4-dimethoxybenzene |
| InChI Key | WNCYZVMZKSOPMU-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO2 |
Bromopentafluorobenzene, 99%
CAS: 344-04-7 Molecular Formula: C6BrF5 Molecular Weight (g/mol): 246.96 MDL Number: MFCD00000287 InChI Key: XEKTVXADUPBFOA-UHFFFAOYSA-N Synonym: bromopentafluorobenzene,pentafluorobromobenzene,benzene, bromopentafluoro,bromoperfluorobenzene,pentafluorophenyl bromide,2,3,4,5,6-pentafluorobromobenzene,benzene, 1-bromo-2,3,4,5,6-pentafluoro,1-bromo-pentafluorobenzene,2,3,4,5,6-bromopentafluorobenzene,1-bromo-2,3,4,5,6-pentafluoro-benzene PubChem CID: 9578 IUPAC Name: 1-bromo-2,3,4,5,6-pentafluorobenzene SMILES: FC1=C(F)C(F)=C(Br)C(F)=C1F
| PubChem CID | 9578 |
|---|---|
| CAS | 344-04-7 |
| Molecular Weight (g/mol) | 246.96 |
| MDL Number | MFCD00000287 |
| SMILES | FC1=C(F)C(F)=C(Br)C(F)=C1F |
| Synonym | bromopentafluorobenzene,pentafluorobromobenzene,benzene, bromopentafluoro,bromoperfluorobenzene,pentafluorophenyl bromide,2,3,4,5,6-pentafluorobromobenzene,benzene, 1-bromo-2,3,4,5,6-pentafluoro,1-bromo-pentafluorobenzene,2,3,4,5,6-bromopentafluorobenzene,1-bromo-2,3,4,5,6-pentafluoro-benzene |
| IUPAC Name | 1-bromo-2,3,4,5,6-pentafluorobenzene |
| InChI Key | XEKTVXADUPBFOA-UHFFFAOYSA-N |
| Molecular Formula | C6BrF5 |
2,6-Difluorophenyl isocyanate, 97%
CAS: 65295-69-4 Molecular Formula: C7H3F2NO Molecular Weight (g/mol): 155.104 MDL Number: MFCD00001998 InChI Key: YXHDLKWTPVMIOH-UHFFFAOYSA-N Synonym: 2,6-difluorophenyl isocyanate,2,6-difluorophenylisocyanate,benzene, 1,3-difluoro-2-isocyanato,2,6-difluorobenzenisocyanate,timtec-bb sbb006664,pubchem5023,acmc-1bcwu,2,6 difluorophenylisocyanate,2,6-difluoro phenyl isocyanate,1-isocyanato-2,6-difluoro benzene PubChem CID: 522162 IUPAC Name: 1,3-difluoro-2-isocyanatobenzene SMILES: C1=CC(=C(C(=C1)F)N=C=O)F
| PubChem CID | 522162 |
|---|---|
| CAS | 65295-69-4 |
| Molecular Weight (g/mol) | 155.104 |
| MDL Number | MFCD00001998 |
| SMILES | C1=CC(=C(C(=C1)F)N=C=O)F |
| Synonym | 2,6-difluorophenyl isocyanate,2,6-difluorophenylisocyanate,benzene, 1,3-difluoro-2-isocyanato,2,6-difluorobenzenisocyanate,timtec-bb sbb006664,pubchem5023,acmc-1bcwu,2,6 difluorophenylisocyanate,2,6-difluoro phenyl isocyanate,1-isocyanato-2,6-difluoro benzene |
| IUPAC Name | 1,3-difluoro-2-isocyanatobenzene |
| InChI Key | YXHDLKWTPVMIOH-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2NO |
3,5-Difluoroaniline, 98+%
CAS: 372-39-4 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007763 InChI Key: KQOIBXZRCYFZSO-UHFFFAOYSA-N Synonym: benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline PubChem CID: 96595 IUPAC Name: 3,5-difluoroaniline SMILES: C1=C(C=C(C=C1F)F)N
| PubChem CID | 96595 |
|---|---|
| CAS | 372-39-4 |
| Molecular Weight (g/mol) | 129.11 |
| MDL Number | MFCD00007763 |
| SMILES | C1=C(C=C(C=C1F)F)N |
| Synonym | benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline |
| IUPAC Name | 3,5-difluoroaniline |
| InChI Key | KQOIBXZRCYFZSO-UHFFFAOYSA-N |
| Molecular Formula | C6H5F2N |
1-Fluoro-3,5-dimethoxybenzene, 98%
CAS: 52189-63-6 Molecular Formula: C8H9FO2 Molecular Weight (g/mol): 156.16 MDL Number: MFCD00012445 InChI Key: IWFKMNAEFPEIOY-UHFFFAOYSA-N Synonym: 1,3-dimethoxy-5-fluorobenzene,benzene, 1-fluoro-3,5-dimethoxy,3,5-dimethoxyfluorobenzene,pubchem3049,acmc-209wz0,3,5-dimethoxy fluorobenzene,ksc595k6b,3,5-dimethoxy-1-fluorobenzene,1-fluoro-3,5-dimethoxy benzene,benzene,1-fluoro-3,5-dimethoxy PubChem CID: 2774257 IUPAC Name: 1-fluoro-3,5-dimethoxybenzene SMILES: COC1=CC(OC)=CC(F)=C1
| PubChem CID | 2774257 |
|---|---|
| CAS | 52189-63-6 |
| Molecular Weight (g/mol) | 156.16 |
| MDL Number | MFCD00012445 |
| SMILES | COC1=CC(OC)=CC(F)=C1 |
| Synonym | 1,3-dimethoxy-5-fluorobenzene,benzene, 1-fluoro-3,5-dimethoxy,3,5-dimethoxyfluorobenzene,pubchem3049,acmc-209wz0,3,5-dimethoxy fluorobenzene,ksc595k6b,3,5-dimethoxy-1-fluorobenzene,1-fluoro-3,5-dimethoxy benzene,benzene,1-fluoro-3,5-dimethoxy |
| IUPAC Name | 1-fluoro-3,5-dimethoxybenzene |
| InChI Key | IWFKMNAEFPEIOY-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO2 |
1-Bromo-2,4-difluorobenzene, 98+%
CAS: 348-57-2 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.99 MDL Number: MFCD00000330 InChI Key: MGHBDQZXPCTTIH-UHFFFAOYSA-N Synonym: 2,4-difluorobromobenzene,benzene, 1-bromo-2,4-difluoro,1-bromo-2,4-difluoro-benzene,bromo-2,4-difluorobenzene,2,4-difluoro-1-bromobenzene,attercop-chm at130629,fr cf de,pubchem2301,2.4-difluorobromobenzene,acmc-1adm3 PubChem CID: 67674 IUPAC Name: 1-bromo-2,4-difluorobenzene SMILES: FC1=CC=C(Br)C(F)=C1
| PubChem CID | 67674 |
|---|---|
| CAS | 348-57-2 |
| Molecular Weight (g/mol) | 192.99 |
| MDL Number | MFCD00000330 |
| SMILES | FC1=CC=C(Br)C(F)=C1 |
| Synonym | 2,4-difluorobromobenzene,benzene, 1-bromo-2,4-difluoro,1-bromo-2,4-difluoro-benzene,bromo-2,4-difluorobenzene,2,4-difluoro-1-bromobenzene,attercop-chm at130629,fr cf de,pubchem2301,2.4-difluorobromobenzene,acmc-1adm3 |
| IUPAC Name | 1-bromo-2,4-difluorobenzene |
| InChI Key | MGHBDQZXPCTTIH-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |
3-Chloro-4-fluorothiobenzamide, 97%
CAS: 130560-97-3 Molecular Formula: C7H5ClFNS Molecular Weight (g/mol): 189.632 MDL Number: MFCD00042478 InChI Key: RSGPCKCTKDCMRR-UHFFFAOYSA-N Synonym: 3-chloro-4-fluorothiobenzamide,3-chloro-4-fluorobenzothioamide,3-chloro-4-fluorobenzene-1-carbothioamide,benzenecarbothioamide,3-chloro-4-fluoro,amino 3-chloro-4-fluorophenyl methane-1-thione,acmc-1ccr0,3-chloro-4-fluoro-thiobenzamide,#,3-chloranyl-4-fluoranyl-benzenecarbothioamide,benzenecarbothioamide, 3-chloro-4-fluoro-9ci PubChem CID: 2779521 IUPAC Name: 3-chloro-4-fluorobenzenecarbothioamide SMILES: C1=CC(=C(C=C1C(=S)N)Cl)F
| PubChem CID | 2779521 |
|---|---|
| CAS | 130560-97-3 |
| Molecular Weight (g/mol) | 189.632 |
| MDL Number | MFCD00042478 |
| SMILES | C1=CC(=C(C=C1C(=S)N)Cl)F |
| Synonym | 3-chloro-4-fluorothiobenzamide,3-chloro-4-fluorobenzothioamide,3-chloro-4-fluorobenzene-1-carbothioamide,benzenecarbothioamide,3-chloro-4-fluoro,amino 3-chloro-4-fluorophenyl methane-1-thione,acmc-1ccr0,3-chloro-4-fluoro-thiobenzamide,#,3-chloranyl-4-fluoranyl-benzenecarbothioamide,benzenecarbothioamide, 3-chloro-4-fluoro-9ci |
| IUPAC Name | 3-chloro-4-fluorobenzenecarbothioamide |
| InChI Key | RSGPCKCTKDCMRR-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClFNS |
2,4-Difluorophenylboronic acid, 98%
CAS: 144025-03-6 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.91 MDL Number: MFCD01318998 InChI Key: QQLRSCZSKQTFGY-UHFFFAOYSA-N Synonym: 2,4-difluorobenzeneboronic acid,2,4-difluorophenyl boronic acid,2,4-fluorobenzene boronic acid,2,4-difluorophenyl boranediol,2,4-difluorophenyl-boronic acid,2,4-difluorophenylboronicacid,2 4-difluorophenylboronic acid,boronic acid, 2,4-difluorophenyl,boronic acid, b-2,4-difluorophenyl PubChem CID: 2734334 IUPAC Name: (2,4-difluorophenyl)boronic acid SMILES: OB(O)C1=CC=C(F)C=C1F
| PubChem CID | 2734334 |
|---|---|
| CAS | 144025-03-6 |
| Molecular Weight (g/mol) | 157.91 |
| MDL Number | MFCD01318998 |
| SMILES | OB(O)C1=CC=C(F)C=C1F |
| Synonym | 2,4-difluorobenzeneboronic acid,2,4-difluorophenyl boronic acid,2,4-fluorobenzene boronic acid,2,4-difluorophenyl boranediol,2,4-difluorophenyl-boronic acid,2,4-difluorophenylboronicacid,2 4-difluorophenylboronic acid,boronic acid, 2,4-difluorophenyl,boronic acid, b-2,4-difluorophenyl |
| IUPAC Name | (2,4-difluorophenyl)boronic acid |
| InChI Key | QQLRSCZSKQTFGY-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF2O2 |