Basic information
- Standard SMILES
CC(=O)OCc1ccnc(Cl)c1[N+](=O)[O-]- InChIKey
OLKJQDOWIYZTBG-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O4
- Average molar mass
- 230.6 g/mol
- Monoisotopic mass
- 230.0094344
Names & identifiers
- Preferred name
- 2-Chloro-3-nitro-4-acetoxymethylpyridine
- IUPAC
- (2-chloro-3-nitro-4-pyridinyl)methyl acetate
Names & synonyms
SCHEMBL1937214OLKJQDOWIYZTBG-UHFFFAOYSA-N2-chloro-3-nitro-4-acetoxymethylpyridine(2-chloro-3-nitropyridin-4-yl)methyl acetate
Database identifiers
- PubChem CID
- 19417455
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Related reactions
4 records
Compound notes
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