Basic information
- CAS
5432-69-9- Standard SMILES
O=C(Oc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1- InChIKey
JOLOVOQCEFGUGN-UHFFFAOYSA-N- Molecular formula
- C13H7Cl2NO4
- Average molar mass
- 312.1 g/mol
- Monoisotopic mass
- 310.9752131
Names & identifiers
- Preferred name
- 4-Nitro-benzoic acid 2,4-dichloro-phenyl ester
- IUPAC
- (2,4-dichlorophenyl) 4-nitrobenzoate
Names & synonyms
5432-69-92,4-DICHLOROPHENYL 4-NITROBENZOATE4-Nitro-benzoic acid 2,4-dichloro-phenyl esterNSC6888Oprea1_079574Oprea1_089585DTXSID50278277NSC-6888AKOS001588147SR-01000390435SR-01000390435-1
Database identifiers
- CAS
5432-69-9- PubChem CID
- 221817
- DTXSID
DTXSID50278277
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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