2-(4-Chlorophenyl)-3-(1-naphthyl)acrylonitrile
Basic information
- CAS
72030-13-8- Standard SMILES
N#C/C(=C\c1cccc2ccccc12)c1ccc(Cl)cc1- InChIKey
FVYQZSOKZIVXHI-SFQUDFHCSA-N- Molecular formula
- C19H12ClN
- Average molar mass
- 289.8 g/mol
- Monoisotopic mass
- 289.0658271
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-3-(1-naphthyl)acrylonitrile
- IUPAC
- (Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
- English name
- TIMTEC-BB SBB006268
- Molecular formula
- C19H12ClN
- Molecular weight
- 289.76
Names & synonyms
2-(4-Chlorophenyl)-3-(1-naphthyl)acrylonitrile72030-13-8NSC201933NSC 201933(Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile2-(4-Chlorophenyl)-3-(naphthalen-1-yl)acrylonitrile(2E)-2-(4-CHLOROPHENYL)-3-(NAPHTHALEN-1-YL)PROP-2-ENENITRILEAKOS003399216NSC-201933(2Z)-2-(4-chlorophenyl)-3-(1-naphthyl)acrylonitrile(Z)-2-(4-chlorophenyl)-3-(1-naphthyl)prop-2-enenitrileTIMTEC-BB SBB006268
Show more names
ALPHA-(4-CHLOROPHENYL)-BETA-(1-NAPHTHYL)ACRYLONITRILEBenzeneacetonitrile, 4-chloro-α-(1-naphthalenylmethylene)-
Database identifiers
- CAS
72030-13-8- PubChem CID
- 698328
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Melting point
- 181 °C · 181 °C
- Boiling point
- 459.9 · 459.9±33.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
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Compound notes
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