3-(p-Chlorophenyl)-2-phenylacrylonitrile
Basic information
- CAS
3695-92-9- Standard SMILES
N#C/C(=C\c1ccc(Cl)cc1)c1ccccc1- InChIKey
WHZUHCZQGFNGNH-GXDHUFHOSA-N- Molecular formula
- C15H10ClN
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.050177
Names & identifiers
- Preferred name
- 3-(p-Chlorophenyl)-2-phenylacrylonitrile
- IUPAC
- (Z)-3-(4-chlorophenyl)-2-phenylprop-2-enenitrile
- English name
- p-Chloro-α-phenylcinnamonitrile
- Molecular formula
- C15H10ClN
- Molecular weight
- 239.7
Names & synonyms
3-(p-Chlorophenyl)-2-phenylacrylonitrile3695-92-9ACRYLONITRILE, 3-(p-CHLOROPHENYL)-2-PHENYL-p-Chloro-.alpha.-phenylcinnamonitrileNSC 214552Benzene, 1-chloro-4-(2-cyano-2-phenylethenyl)p-Chloro-alpha-phenylcinnamonitrile3-(4-Chlorophenyl)-2-phenyl-2-propenenitrileRefChem:275784WHZUHCZQGFNGNH-GXDHUFHOSA-N(Z)-3-(4-chlorophenyl)-2-phenylprop-2-enenitrileF 2388
Show more names
f2388TIMTEC-BB SBB008091p-Chloro-α-phenylcinnamonitrile4-CHLORO-ALPHA-PHENYLCINNAMONITRILE3-(p-chlorophenyl)-2-phenyl-acrylonitril
NSC21455237629-64-43-(4-chlorophenyl)-2-phenylacrylonitrile4-Chlor-benzal-(benzyl-cyanid)(Z)-3-(4-chlorophenyl)-2-phenylacrylonitrileNSC-214552(2E)-3-(4-chlorophenyl)-2-phenylacrylonitrile(2Z)-3-(4-chlorophenyl)-2-phenylprop-2-enenitrile
Database identifiers
- CAS
3695-92-9、37629-64-4- PubChem CID
- 682089
- ChEMBL
CHEMBL2030524- UNII
- T5G6G4K54X
- Nikkaji
- J540.346D、J586.545J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- Boiling point
- 368.964 · 368.964±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 G6G4K54X · T5G6G4K54X
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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