Basic information
- Standard SMILES
COc1c(C#N)ccc([N+](=O)[O-])c1N- InChIKey
CHBPILZHYATYOX-UHFFFAOYSA-N- Molecular formula
- C8H7N3O3
- Average molar mass
- 193.16 g/mol
Names & identifiers
- Preferred name
- 3-Amino-2-methoxy-4-nitrobenzonitrile
- IUPAC
- 3-amino-2-methoxy-4-nitrobenzonitrile
Names & synonyms
3-Amino-2-methoxy-4-nitrobenzonitrileSCHEMBL2967890CHBPILZHYATYOX-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59754353
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
Related reactions
3 records
Compound notes
Loading…