3-Chloro-4-(3,4-dichlorobenzyl)benzonitrile
Basic information
- Standard SMILES
N#Cc1ccc(Cc2ccc(Cl)c(Cl)c2)c(Cl)c1- InChIKey
RSZIBZLHAGUTNM-UHFFFAOYSA-N- Molecular formula
- C14H8Cl3N
- Average molar mass
- 296.6 g/mol
- Monoisotopic mass
- 294.972232
Names & identifiers
- Preferred name
- 3-Chloro-4-(3,4-dichlorobenzyl)benzonitrile
- IUPAC
- 3-chloro-4-[(3,4-dichlorophenyl)methyl]benzonitrile
Names & synonyms
SCHEMBL8303374RSZIBZLHAGUTNM-UHFFFAOYSA-N3-chloro-4-(3,4-dichlorobenzyl)benzonitrile
Database identifiers
- PubChem CID
- 21463630
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Related reactions
2 records
Compound notes
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