Basic information
- CAS
6264-29-5- Standard SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1- InChIKey
PCOGDBDOULFSKE-UHFFFAOYSA-N- Molecular formula
- C13H8ClNO4
- Average molar mass
- 277.66 g/mol
- Monoisotopic mass
- 277.0141854
Names & identifiers
- Preferred name
- 4-Chlorobenzoic acid, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 4-chlorobenzoate
Names & synonyms
6264-29-54-Chlorobenzoic acid, 4-nitrophenyl esterDTXSID20291615RefChem:1070533DTXCID302427594-nitrophenyl 4-chlorobenzoateBenzoicacid, 4-chloro-, 4-nitrophenyl esterNCIOpen2_004030CHEMBL3272634SCHEMBL11482833NSC76785NSC-76785
Show more names
STK388524AKOS000578977p-chlorobenzoic acid p-nitrophenyl esterDS-007215ST45059890Benzoic acid, 4-chloro-, 4-nitrophenyl ester
Database identifiers
- CAS
6264-29-5- PubChem CID
- 253657
- DTXSID
DTXSID20291615- ChEMBL
CHEMBL3272634- Nikkaji
- J838.917I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
2 records
Compound notes
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