Benzenoids
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3-(1H-Imidazol-1-ylmethyl)benzaldehyde, ≥97%, Thermo Scientific™
CAS: 102432-05-3 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 MDL Number: MFCD08271917 InChI Key: JMKQKKQFLYPQDD-UHFFFAOYSA-N PubChem CID: 10397537 IUPAC Name: 3-(imidazol-1-ylmethyl)benzaldehyde SMILES: C1=CC(=CC(=C1)CN2C=CN=C2)C=O
| PubChem CID | 10397537 |
|---|---|
| CAS | 102432-05-3 |
| Molecular Weight (g/mol) | 186.214 |
| MDL Number | MFCD08271917 |
| SMILES | C1=CC(=CC(=C1)CN2C=CN=C2)C=O |
| IUPAC Name | 3-(imidazol-1-ylmethyl)benzaldehyde |
| InChI Key | JMKQKKQFLYPQDD-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
5-tert-Butyl-2-iodo-1,3-dimethylbenzene, 97%
CAS: 5122-20-3 Molecular Formula: C12H17I Molecular Weight (g/mol): 288.17 MDL Number: MFCD00052173 InChI Key: SCKWYPTZVFBKKW-UHFFFAOYSA-N Synonym: 5-tert-butyl-2-iodo-1,3-dimethylbenzene,maybridge4_003980,acmc-20am7p,5-tert-butyl-2-iodo-m-xylene,4-tert-butyl-2,6-dimethyliodobenzene,5-tert-butyl-2-iodo-1,3-dimeth,5-tert-butyl-2-iodo-1,3-dimethyl-benzene,benzene,5-1,1-dimethylethyl-2-iodo-1,3-dimethyl PubChem CID: 2739988 IUPAC Name: 5-tert-butyl-2-iodo-1,3-dimethylbenzene SMILES: CC1=CC(=CC(C)=C1I)C(C)(C)C
| PubChem CID | 2739988 |
|---|---|
| CAS | 5122-20-3 |
| Molecular Weight (g/mol) | 288.17 |
| MDL Number | MFCD00052173 |
| SMILES | CC1=CC(=CC(C)=C1I)C(C)(C)C |
| Synonym | 5-tert-butyl-2-iodo-1,3-dimethylbenzene,maybridge4_003980,acmc-20am7p,5-tert-butyl-2-iodo-m-xylene,4-tert-butyl-2,6-dimethyliodobenzene,5-tert-butyl-2-iodo-1,3-dimeth,5-tert-butyl-2-iodo-1,3-dimethyl-benzene,benzene,5-1,1-dimethylethyl-2-iodo-1,3-dimethyl |
| IUPAC Name | 5-tert-butyl-2-iodo-1,3-dimethylbenzene |
| InChI Key | SCKWYPTZVFBKKW-UHFFFAOYSA-N |
| Molecular Formula | C12H17I |
2-Bromo-9-fluorenone, 96%
CAS: 3096-56-8 Molecular Formula: C13H7BrO Molecular Weight (g/mol): 259.10 MDL Number: MFCD00010789 InChI Key: MTCARZDHUIEYMB-UHFFFAOYSA-N Synonym: 2-bromo-9-fluorenone,2-bromo-9h-fluoren-9-one,9h-fluoren-9-one, 2-bromo,2-bromanylfluoren-9-one,acmc-209hjk,2-bromo-9h-fluorenone,ksc318o8f PubChem CID: 725831 IUPAC Name: 2-bromofluoren-9-one SMILES: BrC1=CC=C2C3=CC=CC=C3C(=O)C2=C1
| PubChem CID | 725831 |
|---|---|
| CAS | 3096-56-8 |
| Molecular Weight (g/mol) | 259.10 |
| MDL Number | MFCD00010789 |
| SMILES | BrC1=CC=C2C3=CC=CC=C3C(=O)C2=C1 |
| Synonym | 2-bromo-9-fluorenone,2-bromo-9h-fluoren-9-one,9h-fluoren-9-one, 2-bromo,2-bromanylfluoren-9-one,acmc-209hjk,2-bromo-9h-fluorenone,ksc318o8f |
| IUPAC Name | 2-bromofluoren-9-one |
| InChI Key | MTCARZDHUIEYMB-UHFFFAOYSA-N |
| Molecular Formula | C13H7BrO |
1-Boc-N-Fmoc-D-tryptophan, 98%
CAS: 163619-04-3 Molecular Formula: C31H30N2O6 Molecular Weight (g/mol): 526.59 MDL Number: MFCD00153367 InChI Key: ADOHASQZJSJZBT-AREMUKBSSA-N Synonym: fmoc-d-trp boc-oh,n,a-fmoc-n in-boc-d-tryptophan,fmoc-d-trp boc,ambotzfaa1339,pubchem10051,1-boc-fmoc-d-tryptophan,1-boc-n-fmoc-d-tryptophan,2r-3-1-tert-butoxycarbonylindol-3-yl-2-9h-fluoren-9-ylmethoxycarbonylamino propanoic acid,nalpha-fmoc-n in-boc-d-tryptophan,fmoc-d-trp boc-oh hplc PubChem CID: 16213150 IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid SMILES: CC(C)(C)OC(=O)N1C=C(C[C@@H](NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(O)=O)C2=CC=CC=C12
| PubChem CID | 16213150 |
|---|---|
| CAS | 163619-04-3 |
| Molecular Weight (g/mol) | 526.59 |
| MDL Number | MFCD00153367 |
| SMILES | CC(C)(C)OC(=O)N1C=C(C[C@@H](NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(O)=O)C2=CC=CC=C12 |
| Synonym | fmoc-d-trp boc-oh,n,a-fmoc-n in-boc-d-tryptophan,fmoc-d-trp boc,ambotzfaa1339,pubchem10051,1-boc-fmoc-d-tryptophan,1-boc-n-fmoc-d-tryptophan,2r-3-1-tert-butoxycarbonylindol-3-yl-2-9h-fluoren-9-ylmethoxycarbonylamino propanoic acid,nalpha-fmoc-n in-boc-d-tryptophan,fmoc-d-trp boc-oh hplc |
| IUPAC Name | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid |
| InChI Key | ADOHASQZJSJZBT-AREMUKBSSA-N |
| Molecular Formula | C31H30N2O6 |
Glimepiride
CAS: 93479-97-1 Molecular Formula: C24H34N4O5S Molecular Weight (g/mol): 490.62 MDL Number: MFCD00878417 InChI Key: WIGIZIANZCJQQY-UHFFFAOYSA-N Synonym: glimepiride,amaryl,glimepiridum,glimepirida,amarel,glimepirid,glimepride,endial,roname,glimepiridum latin PubChem CID: 3476 IUPAC Name: 3-ethyl-4-methyl-N-{2-[4-({[(4-methylcyclohexyl)carbamoyl]amino}sulfonyl)phenyl]ethyl}-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide SMILES: CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O
| PubChem CID | 3476 |
|---|---|
| CAS | 93479-97-1 |
| Molecular Weight (g/mol) | 490.62 |
| MDL Number | MFCD00878417 |
| SMILES | CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O |
| Synonym | glimepiride,amaryl,glimepiridum,glimepirida,amarel,glimepirid,glimepride,endial,roname,glimepiridum latin |
| IUPAC Name | 3-ethyl-4-methyl-N-{2-[4-({[(4-methylcyclohexyl)carbamoyl]amino}sulfonyl)phenyl]ethyl}-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide |
| InChI Key | WIGIZIANZCJQQY-UHFFFAOYSA-N |
| Molecular Formula | C24H34N4O5S |
Indapamide
CAS: 26807-65-8 Molecular Formula: C16H16ClN3O3S Molecular Weight (g/mol): 365.83 MDL Number: MFCD00079375 InChI Key: NDDAHWYSQHTHNT-UHFFFAOYNA-N Synonym: indapamide,noranat,veroxil,tertensif,arifon,fludex,lozol,indaflex,bajaten,indamol PubChem CID: 3702 ChEBI: CHEBI:5893 IUPAC Name: 4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide SMILES: CC1CC2=CC=CC=C2N1NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O
| PubChem CID | 3702 |
|---|---|
| CAS | 26807-65-8 |
| Molecular Weight (g/mol) | 365.83 |
| ChEBI | CHEBI:5893 |
| MDL Number | MFCD00079375 |
| SMILES | CC1CC2=CC=CC=C2N1NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O |
| Synonym | indapamide,noranat,veroxil,tertensif,arifon,fludex,lozol,indaflex,bajaten,indamol |
| IUPAC Name | 4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide |
| InChI Key | NDDAHWYSQHTHNT-UHFFFAOYNA-N |
| Molecular Formula | C16H16ClN3O3S |
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 |
(3-Carboxypropyl)triphenylphosphonium bromide, 97%
CAS: 17857-14-6 Molecular Formula: C22H22BrO2P Molecular Weight (g/mol): 429.29 MDL Number: MFCD00274196 InChI Key: NKVJKVMGJABKHV-UHFFFAOYSA-N Synonym: 3-carboxypropyltriphenylphosphonium bromide,3-carboxypropyl triphenylphosphonium bromide,3-carboxypropyl triphenylphosphanium bromide,carboxypropyltriphenylphosphoniumbromide,phosphonium, 3-carboxypropyl triphenyl-, bromide,4-hydroxy-4-oxobutyl triphenylphosphonium bromide,3-carboxypropyl triphenylphosphonium bromide 3-carboxypropyl triphenylphosphonium bromide,acmc-1bp1u,xfzdcviyhhhybq-uhfffaoysa-m PubChem CID: 10717451 IUPAC Name: 3-carboxypropyl(triphenyl)phosphanium;bromide SMILES: [Br-].OC(=O)CCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 10717451 |
|---|---|
| CAS | 17857-14-6 |
| Molecular Weight (g/mol) | 429.29 |
| MDL Number | MFCD00274196 |
| SMILES | [Br-].OC(=O)CCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 3-carboxypropyltriphenylphosphonium bromide,3-carboxypropyl triphenylphosphonium bromide,3-carboxypropyl triphenylphosphanium bromide,carboxypropyltriphenylphosphoniumbromide,phosphonium, 3-carboxypropyl triphenyl-, bromide,4-hydroxy-4-oxobutyl triphenylphosphonium bromide,3-carboxypropyl triphenylphosphonium bromide 3-carboxypropyl triphenylphosphonium bromide,acmc-1bp1u,xfzdcviyhhhybq-uhfffaoysa-m |
| IUPAC Name | 3-carboxypropyl(triphenyl)phosphanium;bromide |
| InChI Key | NKVJKVMGJABKHV-UHFFFAOYSA-N |
| Molecular Formula | C22H22BrO2P |
2-(Diphenylphosphino)benzaldehyde, 97%
CAS: 50777-76-9 Molecular Formula: C19H15OP Molecular Weight (g/mol): 290.30 MDL Number: MFCD00013367 InChI Key: DRCPJRZHAJMWOU-UHFFFAOYSA-N Synonym: 2-diphenylphosphino benzaldehyde,2-diphenylphosphinobenzaldehyde,o-diphenylphosphino benzaldehyde,2-formylphenyl diphenylphosphine,2-diphenylphosphanyl benzaldehyde,benzaldehyde, 2-diphenylphosphino,dppbde,zlchem 984,2-formylphenyldiphenylphosphine PubChem CID: 2754316 IUPAC Name: 2-(diphenylphosphanyl)benzaldehyde SMILES: O=CC1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2754316 |
|---|---|
| CAS | 50777-76-9 |
| Molecular Weight (g/mol) | 290.30 |
| MDL Number | MFCD00013367 |
| SMILES | O=CC1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-diphenylphosphino benzaldehyde,2-diphenylphosphinobenzaldehyde,o-diphenylphosphino benzaldehyde,2-formylphenyl diphenylphosphine,2-diphenylphosphanyl benzaldehyde,benzaldehyde, 2-diphenylphosphino,dppbde,zlchem 984,2-formylphenyldiphenylphosphine |
| IUPAC Name | 2-(diphenylphosphanyl)benzaldehyde |
| InChI Key | DRCPJRZHAJMWOU-UHFFFAOYSA-N |
| Molecular Formula | C19H15OP |
2-Amino-3-chlorobenzoic acid, 98%
CAS: 6388-47-2 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00134229 InChI Key: LWUAMROXVQLJKA-UHFFFAOYSA-N Synonym: 3-chloroanthranilic acid,benzoic acid, 2-amino-3-chloro,2-amino-3-chloro-benzoic acid,3-chloro-2-aminobenzoic acid,anthranilic acid, 3-chloro,2-amino-3-chlorobenzoicacid,pubchem4639,3-chloroanthranilicacid,acmc-209nj4,amino-3-chlorobenzoic acid PubChem CID: 80807 IUPAC Name: 2-amino-3-chlorobenzoic acid SMILES: NC1=C(Cl)C=CC=C1C(O)=O
| PubChem CID | 80807 |
|---|---|
| CAS | 6388-47-2 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00134229 |
| SMILES | NC1=C(Cl)C=CC=C1C(O)=O |
| Synonym | 3-chloroanthranilic acid,benzoic acid, 2-amino-3-chloro,2-amino-3-chloro-benzoic acid,3-chloro-2-aminobenzoic acid,anthranilic acid, 3-chloro,2-amino-3-chlorobenzoicacid,pubchem4639,3-chloroanthranilicacid,acmc-209nj4,amino-3-chlorobenzoic acid |
| IUPAC Name | 2-amino-3-chlorobenzoic acid |
| InChI Key | LWUAMROXVQLJKA-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
9-Fluorenol, 98+%
CAS: 1689-64-1 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.222 MDL Number: MFCD00001135 InChI Key: AFMVESZOYKHDBJ-UHFFFAOYSA-N Synonym: 9-hydroxyfluorene,9-fluorenol,fluoren-9-ol,fluorenol,9-hydroxy fluorene,diphenylene carbinol,unii-bv0q72r613,hydroxyfluoren,9-hydroxy-fluoren,9h-fluorene-9-ol PubChem CID: 74318 ChEBI: CHEBI:16904 IUPAC Name: 9H-fluoren-9-ol SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)O
| PubChem CID | 74318 |
|---|---|
| CAS | 1689-64-1 |
| Molecular Weight (g/mol) | 182.222 |
| ChEBI | CHEBI:16904 |
| MDL Number | MFCD00001135 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)O |
| Synonym | 9-hydroxyfluorene,9-fluorenol,fluoren-9-ol,fluorenol,9-hydroxy fluorene,diphenylene carbinol,unii-bv0q72r613,hydroxyfluoren,9-hydroxy-fluoren,9h-fluorene-9-ol |
| IUPAC Name | 9H-fluoren-9-ol |
| InChI Key | AFMVESZOYKHDBJ-UHFFFAOYSA-N |
| Molecular Formula | C13H10O |
9-Acetylanthracene, 96%
CAS: 784-04-3 Molecular Formula: C16H12O Molecular Weight (g/mol): 220.271 MDL Number: MFCD00001259 InChI Key: NXXNVJDXUHMAHU-UHFFFAOYSA-N Synonym: 9-acetylanthracene,1-anthracen-9-yl ethanone,9-acetoanthracene,9-anthryl methyl ketone,ethanone, 1-9-anthracenyl,1-9-anthryl ethanone,ketone, 9-anthryl methyl,9-acetyl anthracene,9-acetylanthrancene,9-acetylantracene PubChem CID: 69911 IUPAC Name: 1-anthracen-9-ylethanone SMILES: CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31
| PubChem CID | 69911 |
|---|---|
| CAS | 784-04-3 |
| Molecular Weight (g/mol) | 220.271 |
| MDL Number | MFCD00001259 |
| SMILES | CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31 |
| Synonym | 9-acetylanthracene,1-anthracen-9-yl ethanone,9-acetoanthracene,9-anthryl methyl ketone,ethanone, 1-9-anthracenyl,1-9-anthryl ethanone,ketone, 9-anthryl methyl,9-acetyl anthracene,9-acetylanthrancene,9-acetylantracene |
| IUPAC Name | 1-anthracen-9-ylethanone |
| InChI Key | NXXNVJDXUHMAHU-UHFFFAOYSA-N |
| Molecular Formula | C16H12O |
STO-609, 98%, Thermo Scientific Chemicals
CAS: 52029-86-4 Molecular Formula: C19H10N2O3 Molecular Weight (g/mol): 314.3 MDL Number: MFCD06411456 InChI Key: MYKOWOGZBMOVBJ-UHFFFAOYSA-N Synonym: 11-oxo-3,10-diazapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1 20 ,2,4,6,8,12,14,16,18-nonaene-17-carboxylate PubChem CID: 3467590 SMILES: C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C(C=CC3=C54)C(=O)O
| PubChem CID | 3467590 |
|---|---|
| CAS | 52029-86-4 |
| Molecular Weight (g/mol) | 314.3 |
| MDL Number | MFCD06411456 |
| SMILES | C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C(C=CC3=C54)C(=O)O |
| Synonym | 11-oxo-3,10-diazapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1 20 ,2,4,6,8,12,14,16,18-nonaene-17-carboxylate |
| InChI Key | MYKOWOGZBMOVBJ-UHFFFAOYSA-N |
| Molecular Formula | C19H10N2O3 |
2-Ethylphenol, 98+%
CAS: 90-00-6 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002249 InChI Key: IXQGCWUGDFDQMF-UHFFFAOYSA-N Synonym: o-ethylphenol,phlorol,phenol, 2-ethyl,phenol, o-ethyl,ethylphenol,1-ethyl-2-hydroxybenzene,1-hydroxy-2-ethylbenzene,phenol, ethyl,florol,o-ethyl phenol PubChem CID: 6997 ChEBI: CHEBI:34275 IUPAC Name: 2-ethylphenol SMILES: CCC1=CC=CC=C1O
| PubChem CID | 6997 |
|---|---|
| CAS | 90-00-6 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:34275 |
| MDL Number | MFCD00002249 |
| SMILES | CCC1=CC=CC=C1O |
| Synonym | o-ethylphenol,phlorol,phenol, 2-ethyl,phenol, o-ethyl,ethylphenol,1-ethyl-2-hydroxybenzene,1-hydroxy-2-ethylbenzene,phenol, ethyl,florol,o-ethyl phenol |
| IUPAC Name | 2-ethylphenol |
| InChI Key | IXQGCWUGDFDQMF-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
Benzyl benzoate, 99+%
CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N Synonym: ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate PubChem CID: 2345 ChEBI: CHEBI:41237 IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2345 |
|---|---|
| CAS | 120-51-4 |
| Molecular Weight (g/mol) | 212.25 |
| ChEBI | CHEBI:41237 |
| MDL Number | MFCD00003075 |
| SMILES | O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate |
| IUPAC Name | benzyl benzoate |
| InChI Key | SESFRYSPDFLNCH-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |