(E)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile
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Basic information
- CAS
776999-46-3- Standard SMILES
N#C/C=C(/O)c1ccc(F)cc1- InChIKey
HERZYRSYOKFCCT-WEVVVXLNSA-N- Molecular formula
- C9H6FNO
- Average molar mass
- 163.15 g/mol
Names & identifiers
- Preferred name
- (E)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile
- IUPAC
- (E)-3-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile
- English name
- 2-Propenenitrile, 3-(4-fluorophenyl)-3-hydroxy- (9CI)
- Molecular formula
- C9H6FNO
- Molecular weight
- 163.15
Names & synonyms
776999-46-32-Propenenitrile,3-(4-fluorophenyl)-3-hydroxy-(9CI)
Database identifiers
- CAS
776999-46-3
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
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Compound notes
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