3-Amino-4-methyl-5-nitrobenzoic acid
3-amino-4-methyl-5-nitrobenzoic acid
Also Known As: 3-amino-4-methyl-5-nitrobenzoic acid|3-Amino-4-methyl-5-nitro-benzoic acid|Oprea1_476501|CBDivE_013174|3-Amino-5-nitro-p-toluic acid|Benzoic acid, 3-amino-4-methyl-5-nitro-|ZERO/004988|3-amino-4-methyl-5-nitrobenzoicacid|5-amino-4-methyl-3-nitrobenzoic acid|W-2807|A1-04776|A4140/0176447|826-010-2
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.0484 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0484 |
| Monoisotopic Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 54591-62-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)N |
| InChIKey | LHZXZCIDEFEXPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-4-methyl-5-nitrobenzoic acid (CAS 54591-62-7), with molecular formula C8H8N2O4 and molecular weight 196.0484 g/mol. IUPAC: 3-amino-4-methyl-5-nitrobenzoic acid.
3-Amino-4-methyl-5-nitrobenzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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