Basic information
- Standard SMILES
CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1C(=O)O- InChIKey
WZBPRAWWMVOVKC-UHFFFAOYSA-N- Molecular formula
- C10H10N2O5
- Average molar mass
- 238.2 g/mol
Names & identifiers
- Preferred name
- 6-Acetylamino-2-methyl-3-nitro-benzoic acid
- IUPAC
- 6-acetamido-2-methyl-3-nitrobenzoic acid
Names & synonyms
90321-36-16-ACETYLAMINO-2-METHYL-3-NITRO-BENZOIC ACID6-acetamido-2-methyl-3-nitrobenzoic acid6-Acetylamino-2-methyl-3-nitro-benzoicacidSCHEMBL7432485WZBPRAWWMVOVKC-UHFFFAOYSA-NSB397482-Methyl-3-nitro-6-acetamidobenzoic acid5-nitro-6-methyl-2-acetylaminobenzoic acid
Database identifiers
- PubChem CID
- 15283171
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
Related reactions
14 records
Linked notes
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