(E)-3-(4-chlorophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile
Basic information
- CAS
72740-55-7- Standard SMILES
N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1- InChIKey
DGYIXQYTFLVTQV-XNTDXEJSSA-N- Molecular formula
- C18H11ClN2S
- Average molar mass
- 322.8 g/mol
- Monoisotopic mass
- 322.0331472
Names & identifiers
- Preferred name
- (E)-3-(4-chlorophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile
- IUPAC
- (E)-3-(4-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Names & synonyms
882697-65-6(E)-3-(4-chlorophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile(2E)-3-(4-CHLOROPHENYL)-2-(4-PHENYL-1,3-THIAZOL-2-YL)PROP-2-ENENITRILECambridge id 53032723-(4-Chloro-phenyl)-2-(4-phenyl-thiazol-2-yl)-acrylonitrile(E)-3-(4-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrileAKOS000573830SR-01000399138SR-01000399138-1F0291-0169
Database identifiers
- CAS
72740-55-7- PubChem CID
- 5286328
- EC Number
- 151-372-7
- Nikkaji
- J1.236.770H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
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Compound notes
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