Basic information
- Standard SMILES
N#Cc1ccc(Oc2ccc(C=O)c(Cl)c2)cc1- InChIKey
FCBGZPVSOZLWKE-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO2
- Average molar mass
- 257.67 g/mol
Names & identifiers
- Preferred name
- 4-(3-Chloro-4-formyl-phenoxy)-benzonitrile
- IUPAC
- 4-(3-chloro-4-formylphenoxy)benzonitrile
Names & synonyms
SCHEMBL3694921FCBGZPVSOZLWKE-UHFFFAOYSA-NSBB0789084-(3-Chloro-4-formyl-phenoxy)-benzonitrile4-(3-chloro-4-formylphenoxy)benzenecarbonitrile
Database identifiers
- PubChem CID
- 49757377
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 330
Related reactions
4 records
Compound notes
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