Phenyl 2-(acetyloxy)-4-nitrobenzoate
Basic information
- CAS
6313-50-4- Standard SMILES
CC(=O)Oc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccccc1- InChIKey
ZEFCZUYWGFMWHF-UHFFFAOYSA-N- Molecular formula
- C15H11NO6
- Average molar mass
- 301.25 g/mol
- Monoisotopic mass
- 301.05863707
Names & identifiers
- Preferred name
- Phenyl 2-(acetyloxy)-4-nitrobenzoate
- IUPAC
- phenyl 2-acetyloxy-4-nitrobenzoate
Names & synonyms
6313-50-4phenyl 2-(acetyloxy)-4-nitrobenzoateNSC40133DTXSID60284980NSC-40133
Database identifiers
- CAS
6313-50-4- PubChem CID
- 236979
- DTXSID
DTXSID60284980
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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