Basic information
- CAS
51219-99-9- Standard SMILES
N#CC=Cc1ccccc1Cl- InChIKey
PWWUUGALKZGDSD-UHFFFAOYSA-N- Molecular formula
- C9H6ClN
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.01887687
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)prop-2-enenitrile
- IUPAC
- 3-(2-chlorophenyl)prop-2-enenitrile
Names & synonyms
3-(2-chlorophenyl)prop-2-enenitrile51219-99-9DTXSID10342448RefChem:273650DTXCID702935283-(2-Chlorophenyl)acrylonitrileo-ChlorocinnamonitrileSCHEMBL13444581-cyano-2-(o-chlorophenyl)-ethene3-(2-Chlorophenyl)acrylonitrile #AKOS017436946Prop-2-enenitrile, 3-(2-chlorophenyl)-
Database identifiers
- CAS
51219-99-9- PubChem CID
- 581979
- DTXSID
DTXSID10342448
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 189
Related reactions
4 records
Compound notes
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