Benzenoids
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2-Fluoroaniline 99.0+%, TCI America™
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CAS: 348-54-9 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007642 InChI Key: FTZQXOJYPFINKJ-UHFFFAOYSA-N Synonym: o-fluoroaniline,benzenamine, 2-fluoro,1-amino-2-fluorobenzene,2-fluorobenzenamine,2-fluoro-phenylamine,2-fluoro-benzenamine,fluoroaniline-2,o-aminofluorobenzene,aniline, o-fluoro,2-fluorophenylamine PubChem CID: 9584 ChEBI: CHEBI:27526 IUPAC Name: 2-fluoroaniline SMILES: NC1=CC=CC=C1F
| PubChem CID | 9584 |
|---|---|
| CAS | 348-54-9 |
| Molecular Weight (g/mol) | 111.12 |
| ChEBI | CHEBI:27526 |
| MDL Number | MFCD00007642 |
| SMILES | NC1=CC=CC=C1F |
| Synonym | o-fluoroaniline,benzenamine, 2-fluoro,1-amino-2-fluorobenzene,2-fluorobenzenamine,2-fluoro-phenylamine,2-fluoro-benzenamine,fluoroaniline-2,o-aminofluorobenzene,aniline, o-fluoro,2-fluorophenylamine |
| IUPAC Name | 2-fluoroaniline |
| InChI Key | FTZQXOJYPFINKJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
Tyrphostin A23 98.0+%, TCI America™
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Rivastigmine L-Tartrate 98.0+%, TCI America™
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CAS: 129101-54-8 Molecular Formula: C18H28N2O8 Molecular Weight (g/mol): 400.43 MDL Number: MFCD03700731 InChI Key: GWHQHAUAXRMMOT-RWALOXMOSA-N Synonym: rivastigmine tartrate,rivastigmine bitartrate,sdz-ena 713,rivastigmine hydrogen tartrate,rivastigmine hydrogentartrate,unii-9iy2357jpe,s-3-1-dimethylamino ethyl phenyl ethyl methyl carbamate 2r,3r-2,3-dihydroxysuccinate,rivastigmine tartrate exelon,carbamic acid, ethylmethyl-, 3-1s-1-dimethylamino ethyl phenyl ester, 2r,3r-2,3-dihydroxybutanedioate 1:1 PubChem CID: 6918078 ChEBI: CHEBI:64358 IUPAC Name: (2S,3S)-2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate SMILES: O[C@@H]([C@H](O)C(O)=O)C(O)=O.CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C
| PubChem CID | 6918078 |
|---|---|
| CAS | 129101-54-8 |
| Molecular Weight (g/mol) | 400.43 |
| ChEBI | CHEBI:64358 |
| MDL Number | MFCD03700731 |
| SMILES | O[C@@H]([C@H](O)C(O)=O)C(O)=O.CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C |
| Synonym | rivastigmine tartrate,rivastigmine bitartrate,sdz-ena 713,rivastigmine hydrogen tartrate,rivastigmine hydrogentartrate,unii-9iy2357jpe,s-3-1-dimethylamino ethyl phenyl ethyl methyl carbamate 2r,3r-2,3-dihydroxysuccinate,rivastigmine tartrate exelon,carbamic acid, ethylmethyl-, 3-1s-1-dimethylamino ethyl phenyl ester, 2r,3r-2,3-dihydroxybutanedioate 1:1 |
| IUPAC Name | (2S,3S)-2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate |
| InChI Key | GWHQHAUAXRMMOT-RWALOXMOSA-N |
| Molecular Formula | C18H28N2O8 |
2-Nitrophenol 98.0+%, TCI America™
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CAS: 88-75-5 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00011688 InChI Key: IQUPABOKLQSFBK-UHFFFAOYSA-N Synonym: o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech PubChem CID: 6947 ChEBI: CHEBI:16260 IUPAC Name: 2-nitrophenol SMILES: OC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 6947 |
|---|---|
| CAS | 88-75-5 |
| Molecular Weight (g/mol) | 139.11 |
| ChEBI | CHEBI:16260 |
| MDL Number | MFCD00011688 |
| SMILES | OC1=CC=CC=C1[N+]([O-])=O |
| Synonym | o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech |
| IUPAC Name | 2-nitrophenol |
| InChI Key | IQUPABOKLQSFBK-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |
3,4,5-Trihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 13677-79-7 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00003371 InChI Key: RGZHEOWNTDJLAQ-UHFFFAOYSA-N Synonym: gallaldehyde,benzaldehyde, 3,4,5-trihydroxy,pyrogallol-5-carboxaldehyde,3,4,5-trihydroxy benzaldehyde,pubchem21300,3,4,5-trihydroxybenz,acmc-209c9s,3,4,5-trihydroxybenzaldhyde,3,4,5-trihydroxy-benzaldehyde,3,4,5-tris oxidanyl benzaldehyde PubChem CID: 83651 IUPAC Name: 3,4,5-trihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1O
| PubChem CID | 83651 |
|---|---|
| CAS | 13677-79-7 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00003371 |
| SMILES | OC1=CC(C=O)=CC(O)=C1O |
| Synonym | gallaldehyde,benzaldehyde, 3,4,5-trihydroxy,pyrogallol-5-carboxaldehyde,3,4,5-trihydroxy benzaldehyde,pubchem21300,3,4,5-trihydroxybenz,acmc-209c9s,3,4,5-trihydroxybenzaldhyde,3,4,5-trihydroxy-benzaldehyde,3,4,5-tris oxidanyl benzaldehyde |
| IUPAC Name | 3,4,5-trihydroxybenzaldehyde |
| InChI Key | RGZHEOWNTDJLAQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
4-Phenoxybutyric Acid 98.0+%, TCI America™
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CAS: 6303-58-8 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00042656 InChI Key: YKYVPFIBWVQZCE-UHFFFAOYSA-N Synonym: 4-phenoxybutyric acid,butyric acid, 4-phenoxy,butanoic acid, 4-phenoxy,4-phenoxy-butyric acid,gamma-phenoxybutyric acid,4-phenoxy-n-butyric acid,.gamma.-phenoxybutyric acid,4-phenoxybutyricacid,acmc-209nce,4-phenoxy butanoic acid PubChem CID: 22741 IUPAC Name: 4-phenoxybutanoic acid SMILES: OC(=O)CCCOC1=CC=CC=C1
| PubChem CID | 22741 |
|---|---|
| CAS | 6303-58-8 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00042656 |
| SMILES | OC(=O)CCCOC1=CC=CC=C1 |
| Synonym | 4-phenoxybutyric acid,butyric acid, 4-phenoxy,butanoic acid, 4-phenoxy,4-phenoxy-butyric acid,gamma-phenoxybutyric acid,4-phenoxy-n-butyric acid,.gamma.-phenoxybutyric acid,4-phenoxybutyricacid,acmc-209nce,4-phenoxy butanoic acid |
| IUPAC Name | 4-phenoxybutanoic acid |
| InChI Key | YKYVPFIBWVQZCE-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Diphenylacetaldehyde 95.0+%, TCI America™
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CAS: 947-91-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00006972 InChI Key: HLLGFGBLKOIZOM-UHFFFAOYSA-N Synonym: diphenylacetaldehyde,diphenylketen,acetaldehyde, diphenyl,alpha-phenylbenzeneacetaldehyde,diphenylethanal,diphenyl-acetaldehyde,benzeneacetaldehyde, .alpha.-phenyl,diphenyl-acetaldehyd,benzeneacetaldehyde, ?-phenyl,diphenylacetoaldehyde PubChem CID: 13696 IUPAC Name: 2,2-diphenylacetaldehyde SMILES: O=CC(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 13696 |
|---|---|
| CAS | 947-91-1 |
| Molecular Weight (g/mol) | 196.25 |
| MDL Number | MFCD00006972 |
| SMILES | O=CC(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenylacetaldehyde,diphenylketen,acetaldehyde, diphenyl,alpha-phenylbenzeneacetaldehyde,diphenylethanal,diphenyl-acetaldehyde,benzeneacetaldehyde, .alpha.-phenyl,diphenyl-acetaldehyd,benzeneacetaldehyde, ?-phenyl,diphenylacetoaldehyde |
| IUPAC Name | 2,2-diphenylacetaldehyde |
| InChI Key | HLLGFGBLKOIZOM-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
4,4'-(4,4'-Isopropylidenediphenoxy)diphthalic Anhydride 98.0+%, TCI America™
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CAS: 38103-06-9 Molecular Formula: C31H20O8 Molecular Weight (g/mol): 520.49 MDL Number: MFCD00319167 InChI Key: MQAHXEQUBNDFGI-UHFFFAOYSA-N PubChem CID: 94483 IUPAC Name: 5-[4-(2-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}propan-2-yl)phenoxy]-1,3-dihydro-2-benzofuran-1,3-dione SMILES: CC(C)(C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1)C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1
| PubChem CID | 94483 |
|---|---|
| CAS | 38103-06-9 |
| Molecular Weight (g/mol) | 520.49 |
| MDL Number | MFCD00319167 |
| SMILES | CC(C)(C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1)C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1 |
| IUPAC Name | 5-[4-(2-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}propan-2-yl)phenoxy]-1,3-dihydro-2-benzofuran-1,3-dione |
| InChI Key | MQAHXEQUBNDFGI-UHFFFAOYSA-N |
| Molecular Formula | C31H20O8 |
4-Fluoro-2-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 394-01-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00024300 InChI Key: YLUCXHMYRQUERW-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitrobenzoic acid,2-nitro-4-fluorobenzoic acid,4-fluoro-2-nitrobenzoicacid,benzoic acid, 4-fluoro-2-nitro,4-fluoro-2-nitro-benzoic acid,4-fluoro-2-nitrobenzoic acid 2-nitro-4-fluorobenzoic acid,pubchem1311,acmc-1aim5,ksc497m7t,2-carboxy-5-fluoronitrobenzene PubChem CID: 2737416 SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O
| PubChem CID | 2737416 |
|---|---|
| CAS | 394-01-4 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD00024300 |
| SMILES | C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O |
| Synonym | 4-fluoro-2-nitrobenzoic acid,2-nitro-4-fluorobenzoic acid,4-fluoro-2-nitrobenzoicacid,benzoic acid, 4-fluoro-2-nitro,4-fluoro-2-nitro-benzoic acid,4-fluoro-2-nitrobenzoic acid 2-nitro-4-fluorobenzoic acid,pubchem1311,acmc-1aim5,ksc497m7t,2-carboxy-5-fluoronitrobenzene |
| InChI Key | YLUCXHMYRQUERW-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |
Guaiacol Glycerol Ether 98.0+%, TCI America™
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CAS: 93-14-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00016873 InChI Key: HSRJKNPTNIJEKV-UHFFFAOYNA-N Synonym: guaifenesin,guaiphenesin,glyceryl guaiacolate,glycerol guaiacolate,guaiphenesine,guaiacol glyceryl ether,methphenoxydiol,aeronesin,breonesin,bronchol PubChem CID: 3516 IUPAC Name: 3-(2-methoxyphenoxy)propane-1,2-diol SMILES: COC1=CC=CC=C1OCC(O)CO
| PubChem CID | 3516 |
|---|---|
| CAS | 93-14-1 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00016873 |
| SMILES | COC1=CC=CC=C1OCC(O)CO |
| Synonym | guaifenesin,guaiphenesin,glyceryl guaiacolate,glycerol guaiacolate,guaiphenesine,guaiacol glyceryl ether,methphenoxydiol,aeronesin,breonesin,bronchol |
| IUPAC Name | 3-(2-methoxyphenoxy)propane-1,2-diol |
| InChI Key | HSRJKNPTNIJEKV-UHFFFAOYNA-N |
| Molecular Formula | C10H14O4 |
2,6-Dimethyl-4-nitrophenol 98.0+%, TCI America™
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CAS: 2423-71-4 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007339 InChI Key: FNORUNUDZNWQFF-UHFFFAOYSA-N Synonym: 4-nitro-2,6-xylenol,2,6-xylenol, 4-nitro,4-nitro-2,6-dimethylphenol,phenol, 2,6-dimethyl-4-nitro,phenol,2,6-dimethyl-4-nitro,acmc-1cljn,2, 4-nitro,intermediates-zcf02651,2,6-dimethyl4-nitrophenol,phenol,6-dimethyl-4-nitro PubChem CID: 17030 IUPAC Name: 2,6-dimethyl-4-nitrophenol SMILES: CC1=CC(=CC(=C1O)C)[N+](=O)[O-]
| PubChem CID | 17030 |
|---|---|
| CAS | 2423-71-4 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00007339 |
| SMILES | CC1=CC(=CC(=C1O)C)[N+](=O)[O-] |
| Synonym | 4-nitro-2,6-xylenol,2,6-xylenol, 4-nitro,4-nitro-2,6-dimethylphenol,phenol, 2,6-dimethyl-4-nitro,phenol,2,6-dimethyl-4-nitro,acmc-1cljn,2, 4-nitro,intermediates-zcf02651,2,6-dimethyl4-nitrophenol,phenol,6-dimethyl-4-nitro |
| IUPAC Name | 2,6-dimethyl-4-nitrophenol |
| InChI Key | FNORUNUDZNWQFF-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
5-Bromo-2-iodotoluene 98.0+%, TCI America™
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CAS: 116632-39-4 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.93 MDL Number: MFCD00060664 InChI Key: GHTUADBHTFHMNI-UHFFFAOYSA-N Synonym: 5-bromo-2-iodotoluene,1-bromo-4-iodo-5-methylbenzene,benzene, 4-bromo-1-iodo-2-methyl,bromoiodotoluene,pubchem3793,2-iodo-5-bromo-toluene,5-bromo-2-iodo toluene,5-bromo-2-iodotoluene,,4-bromo-2-methyliodobenzene,4-bromo-2-methyl-iodobenzene PubChem CID: 2724601 IUPAC Name: 4-bromo-1-iodo-2-methylbenzene SMILES: CC1=CC(Br)=CC=C1I
| PubChem CID | 2724601 |
|---|---|
| CAS | 116632-39-4 |
| Molecular Weight (g/mol) | 296.93 |
| MDL Number | MFCD00060664 |
| SMILES | CC1=CC(Br)=CC=C1I |
| Synonym | 5-bromo-2-iodotoluene,1-bromo-4-iodo-5-methylbenzene,benzene, 4-bromo-1-iodo-2-methyl,bromoiodotoluene,pubchem3793,2-iodo-5-bromo-toluene,5-bromo-2-iodo toluene,5-bromo-2-iodotoluene,,4-bromo-2-methyliodobenzene,4-bromo-2-methyl-iodobenzene |
| IUPAC Name | 4-bromo-1-iodo-2-methylbenzene |
| InChI Key | GHTUADBHTFHMNI-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrI |
3-Chlorobenzyl Alcohol 97.0+%, TCI America™
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CAS: 873-63-2 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00004632 InChI Key: ZSRDNPVYGSFUMD-UHFFFAOYSA-N Synonym: 3-chlorobenzyl alcohol,3-chlorophenyl methanol,m-chlorobenzyl alcohol,benzenemethanol, 3-chloro,3-chlorobenzylalcohol,3-chlorophenyl methan-1-ol,m-chlorobenzylalcohol,3-chlorobenyl alcohol,pubchem3626,acmc-209qjt PubChem CID: 70117 IUPAC Name: (3-chlorophenyl)methanol SMILES: C1=CC(=CC(=C1)Cl)CO
| PubChem CID | 70117 |
|---|---|
| CAS | 873-63-2 |
| Molecular Weight (g/mol) | 142.582 |
| MDL Number | MFCD00004632 |
| SMILES | C1=CC(=CC(=C1)Cl)CO |
| Synonym | 3-chlorobenzyl alcohol,3-chlorophenyl methanol,m-chlorobenzyl alcohol,benzenemethanol, 3-chloro,3-chlorobenzylalcohol,3-chlorophenyl methan-1-ol,m-chlorobenzylalcohol,3-chlorobenyl alcohol,pubchem3626,acmc-209qjt |
| IUPAC Name | (3-chlorophenyl)methanol |
| InChI Key | ZSRDNPVYGSFUMD-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
2,3-Dihydroxybenzoic Acid 98.0+%, TCI America™
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CAS: 303-38-8 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002446 InChI Key: GLDQAMYCGOIJDV-UHFFFAOYSA-N Synonym: pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid PubChem CID: 19 ChEBI: CHEBI:18026 IUPAC Name: 2,3-dihydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)O)O)C(=O)O
| PubChem CID | 19 |
|---|---|
| CAS | 303-38-8 |
| Molecular Weight (g/mol) | 154.121 |
| ChEBI | CHEBI:18026 |
| MDL Number | MFCD00002446 |
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)O |
| Synonym | pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid |
| IUPAC Name | 2,3-dihydroxybenzoic acid |
| InChI Key | GLDQAMYCGOIJDV-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
3-Hydroxymethyl-2-methylbiphenyl 98.0+%, TCI America™
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CAS: 76350-90-8 Molecular Formula: C14H14O Molecular Weight (g/mol): 198.265 MDL Number: MFCD00134200 InChI Key: BGTLHJPGBIVQLJ-UHFFFAOYSA-N Synonym: 2-Methylbiphenyl-3-methanol PubChem CID: 596875 IUPAC Name: (2-methyl-3-phenylphenyl)methanol SMILES: CC1=C(C=CC=C1CO)C2=CC=CC=C2
| PubChem CID | 596875 |
|---|---|
| CAS | 76350-90-8 |
| Molecular Weight (g/mol) | 198.265 |
| MDL Number | MFCD00134200 |
| SMILES | CC1=C(C=CC=C1CO)C2=CC=CC=C2 |
| Synonym | 2-Methylbiphenyl-3-methanol |
| IUPAC Name | (2-methyl-3-phenylphenyl)methanol |
| InChI Key | BGTLHJPGBIVQLJ-UHFFFAOYSA-N |
| Molecular Formula | C14H14O |