Basic information
- CAS
64759-67-7- Standard SMILES
CC(=O)c1ccccc1OC(=O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]- InChIKey
ZBKPFGXWWUBNBU-UHFFFAOYSA-N- Molecular formula
- C15H10N2O7
- Average molar mass
- 330.25 g/mol
- Monoisotopic mass
- 330.04880066
Names & identifiers
- Preferred name
- 2-Acetylphenyl 2,6-dinitrobenzoate
- IUPAC
- (2-acetylphenyl) 2,6-dinitrobenzoate
Names & synonyms
2-Acetylphenyl 2,6-dinitrobenzoate64759-67-7DTXSID30494933
Database identifiers
- CAS
64759-67-7- PubChem CID
- 12372985
- DTXSID
DTXSID30494933
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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