Basic information
- Standard SMILES
N#CC(=CO)c1ccc(Cl)cc1Cl- InChIKey
JYYKWIXMUMUGGD-UHFFFAOYSA-N- Molecular formula
- C9H5Cl2NO
- Average molar mass
- 214.04 g/mol
Names & identifiers
- Preferred name
- 2-(2,4-Dichlorophenyl)-3-hydroxyprop-2-enenitrile
- IUPAC
- 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
Names & synonyms
2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrileBionet2_000106SCHEMBL5775780JYYKWIXMUMUGGD-UHFFFAOYSA-NAKOS030241599alpha-(2, 4-dichlorophenyl)-alpha-hydroxymethylene acetonitrilealpha-(2,4-dichlorophenyl)-alpha-hydroxymethylene acetonitrile
Database identifiers
- PubChem CID
- 1483069
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Related reactions
7 records
Linked notes
Loading…