3-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-benzoic acid
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoic acid
Also Known As: Oprea1_626936|3-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-benzoic acid|3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid|KS-00003RI8|3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoic acid|RS-0266|3-((3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)benzoic acid|AK-968/36977135|3-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-benzoic acid|AK-968/37166219|A1-45897|3-[(3,5-dimethyl-4-nitropyrazolyl)methyl]benzoic acid|3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)benzoicacid|3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methylbenzoic acid|3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid|3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzenecarboxylic acid
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.0906 g/mol |
| LogP | 2.15464 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0906 |
| Monoisotopic Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 690.91986 |
Chemical Identifiers
| CAS Number | 400752-48-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC(=CC=C2)C(=O)O)C)[N+](=O)[O-] |
Product Overview
3-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-benzoic acid (CAS 400752-48-9), with molecular formula C13H13N3O4 and molecular weight 275.0906 g/mol. IUPAC: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoic acid.
3-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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