2,4-Dinitrophenyl benzoate
Basic information
- CAS
1523-15-5- Standard SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1- InChIKey
HQRCXANPDFUQGC-UHFFFAOYSA-N- Molecular formula
- C13H8N2O6
- Average molar mass
- 288.21 g/mol
- Monoisotopic mass
- 288.03823598
Names & identifiers
- Preferred name
- 2,4-Dinitrophenyl benzoate
- IUPAC
- (2,4-dinitrophenyl) benzoate
Names & synonyms
2,4-dinitrophenyl benzoate1523-15-5DTXSID10289667RefChem:246676DTXCID50240813NSC62648NCIOpen2_002739CHEMBL3272646NSC-62648AKOS002710429
Database identifiers
- CAS
1523-15-5- PubChem CID
- 247658
- DTXSID
DTXSID10289667- ChEMBL
CHEMBL3272646- Nikkaji
- J660.476E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
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Compound notes
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