Basic information
- Standard SMILES
Cc1cc(C(=O)O)cc([N+](=O)[O-])c1N- InChIKey
QTGYCJNEAUXQNV-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
Names & identifiers
- Preferred name
- 4-Amino-3-methyl-5-nitrobenzoic acid
- IUPAC
- 4-amino-3-methyl-5-nitrobenzoic acid
Names & synonyms
4-amino-3-methyl-5-nitrobenzoic acid37901-94-34-amino-3-methyl-5-nitro-benzoic acidMFCD27950153SCHEMBL15095494-Amino-5-nitro-m-toluic acidQTGYCJNEAUXQNV-UHFFFAOYSA-N4-amino-3-methyl-5-nitrobenzoicacidAKOS037645732AS-62866DA-21375CS-0059769
Show more names
W17682F609709
Database identifiers
- PubChem CID
- 459003
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Related reactions
7 records
Compound notes
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