Basic information
- CAS
14378-03-1- Standard SMILES
N#CC=Cc1cccc(Cl)c1- InChIKey
HMADLTFIHASVIY-UHFFFAOYSA-N- Molecular formula
- C9H6ClN
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.01887687
Names & identifiers
- Preferred name
- 3-Chlorocinnamonitrile
- IUPAC
- 3-(3-chlorophenyl)prop-2-enenitrile
Names & synonyms
3-chlorocinnamonitrileDTXSID30327196RefChem:278595DTXCID6027830914378-03-13-(3-chlorophenyl)prop-2-enenitrilem-chlorocinnamonitrileSCHEMBL6222770HMADLTFIHASVIY-UHFFFAOYSA-NAKOS017436872
Database identifiers
- CAS
14378-03-1- PubChem CID
- 367316
- DTXSID
DTXSID30327196
Properties
Computed structural properties
- XLogP
- 2.5
- 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
5 records
Compound notes
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