Basic information
- CAS
7511-31-1- Standard SMILES
O=C(Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
FYLVXSFYEBNIKC-UHFFFAOYSA-N- Molecular formula
- C13H8ClNO4
- Average molar mass
- 277.66 g/mol
- Monoisotopic mass
- 277.0141854
Names & identifiers
- Preferred name
- (4-Chlorophenyl) 4-nitrobenzoate
- IUPAC
- (4-chlorophenyl) 4-nitrobenzoate
Names & synonyms
(4-chlorophenyl) 4-nitrobenzoate4-chlorophenyl 4-nitrobenzoate7511-31-14-Nitrobenzoic acid, 4-chlorophenyl esterBenzoic acid, 4-nitro-, 4-chlorophenyl esterOprea1_257606DTXSID20324533FYLVXSFYEBNIKC-UHFFFAOYSA-NNSC406944Phenol, p-chloro-, p-nitro-benzoateAKOS000746815NSC-406944
Show more names
EU-0001021ST50222583SR-01000395503SR-01000395503-1
Database identifiers
- CAS
7511-31-1- PubChem CID
- 347983
- DTXSID
DTXSID20324533- Nikkaji
- J863.759H
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 PropertiesNuclear quadrupole resonance spectroscopy
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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