Basic information
- Standard SMILES
COC(=O)C(C(=O)OC)c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
POCYXDMLDVOXQY-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O8
- Average molar mass
- 332.65 g/mol
Names & identifiers
- Preferred name
- Dimethyl (2-chloro-4,6-dinitrophenyl)malonate
- IUPAC
- dimethyl 2-(2-chloro-4,6-dinitrophenyl)propanedioate
Names & synonyms
SCHEMBL496339POCYXDMLDVOXQY-UHFFFAOYSA-Ndimethyl (2-chloro-4,6-dinitrophenyl)malonate
Database identifiers
- PubChem CID
- 86634342
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Related reactions
2 records
Compound notes
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