Basic information
- CAS
2958-46-5- Standard SMILES
CN(C)c1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1- InChIKey
JYSGNKFGNNTQNO-PTNGSMBKSA-N- Molecular formula
- C17H15ClN2
- Average molar mass
- 282.8 g/mol
- Monoisotopic mass
- 282.0923762
Names & identifiers
- Preferred name
- alpha-(4-Chlorophenyl)-4-(dimethylamino)cinnamonitrile
- IUPAC
- (E)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Names & synonyms
NSC405103NSC-405103ALPHA-(4-CHLOROPHENYL)-4-(DIMETHYLAMINO)CINNAMONITRILE
Database identifiers
- CAS
2958-46-5- PubChem CID
- 820255
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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