Basic information
- CAS
17849-64-8- Standard SMILES
N#CC(Cl)Cc1ccc(Cl)cc1- InChIKey
HOMTWGUIQUDIKT-UHFFFAOYSA-N- Molecular formula
- C9H7Cl2N
- Average molar mass
- 200.06 g/mol
- Monoisotopic mass
- 198.9955546
Names & identifiers
- Preferred name
- 2-Chloro-3-(4-chlorophenyl)propanenitrile
- IUPAC
- 2-chloro-3-(4-chlorophenyl)propanenitrile
Names & synonyms
2-chloro-3-(4-chlorophenyl)propanenitrile17849-64-8DTXSID402748642-chloro-3-(4-chlorophenyl)-propionitrile
Database identifiers
- CAS
17849-64-8- PubChem CID
- 28811
- DTXSID
DTXSID40274864- Nikkaji
- J1.557.280I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…