Basic information
- CAS
95458-27-8- Standard SMILES
CN(C)c1ccc(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)cc1- InChIKey
GIZINMJFDXUQRI-NTEUORMPSA-N- Molecular formula
- C17H14Cl2N2
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 316.0534038
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenyl)-3-(4-(dimethylamino)phenyl)acrylonitrile
- IUPAC
- (Z)-2-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Names & synonyms
NSC4051062-(3,4-Dichlorophenyl)-3-(4-(dimethylamino)phenyl)acrylonitrileCHEMBL3218669(Z)-2-(3,4-dichlorophenyl)-3-(4-dimethylaminophenyl)prop-2-enenitrileAKOS000341066NSC-405106
Database identifiers
- CAS
95458-27-8- PubChem CID
- 5781925
- ChEMBL
CHEMBL3218669- EC Number
- 123-179-8
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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