Basic information
- CAS
32792-53-3- Standard SMILES
N#Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1- InChIKey
PGPBOUBXPMLQLM-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO2
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.0243562
Names & identifiers
- Preferred name
- 4-Chlorobenzoic acid, 4-cyanophenyl ester
- IUPAC
- (4-cyanophenyl) 4-chlorobenzoate
Names & synonyms
(4-cyanophenyl) 4-chlorobenzoate4-Chlorobenzoic acid, 4-cyanophenyl ester32792-53-34-cyanophenyl 4-chlorobenzoateCCG-802Oprea1_281893DTXSID30336344PGPBOUBXPMLQLM-UHFFFAOYSA-NHMS1666F19
Database identifiers
- CAS
32792-53-3- PubChem CID
- 532500
- DTXSID
DTXSID30336344- Nikkaji
- J788.156H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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