Basic information
- Standard SMILES
COc1nc(Cl)c([N+](=O)[O-])c(OC)n1- InChIKey
DZVJFWKOQFZUII-UHFFFAOYSA-N- Molecular formula
- C6H6ClN3O4
- Average molar mass
- 219.58 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2,6-dimethoxy-5-nitropyrimidine
- IUPAC
- 4-chloro-2,6-dimethoxy-5-nitropyrimidine
Names & synonyms
4-chloro-2,6-dimethoxy-5-nitropyrimidine60331-03-5starbld00125854-chloro-2,6-dimethoxy-5-nitro-pyrimidineSCHEMBL502077DZVJFWKOQFZUII-UHFFFAOYSA-NDB-117897Pyrimidine, 4-chloro-2,6-dimethoxy-5-nitro-
Database identifiers
- PubChem CID
- 3413508
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
2 records
Compound notes
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