Basic information
- CAS
32792-54-4- Standard SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1- InChIKey
SJFABTRXLXVFME-UHFFFAOYSA-N- Molecular formula
- C13H7ClN2O6
- Average molar mass
- 322.66 g/mol
- Monoisotopic mass
- 321.9992636
Names & identifiers
- Preferred name
- Benzoic acid, p-chloro-, 2,4-dinitrophenyl ester
- IUPAC
- (2,4-dinitrophenyl) 4-chlorobenzoate
- English name
- 4-Chlorobenzoic acid 2,4-dinitrophenyl ester
- Molecular formula
- C13H7ClN2O6
- Molecular weight
- 322.66
Names & synonyms
4-Chlorobenzoic acid 2,4-dinitrophenyl ester32792-54-4BENZOIC ACID, p-CHLORO-, 2,4-DINITROPHENYL ESTERBRN 2169379DTXSID80186457RefChem:327928DTXCID901089482,4-dinitrophenyl 4-chlorobenzoateCHEMBL3272653Benzoic acid, 4-chloro-, 2,4-dinitrophenyl ester
Database identifiers
- CAS
32792-54-4- PubChem CID
- 36237
- DTXSID
DTXSID80186457- ChEMBL
CHEMBL3272653- Nikkaji
- J41.207D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 536.1 · 536.1±50.0 °C(Predicted)
- Density
- 1.547 · 1.547±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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