Basic information
- Standard SMILES
N#CC(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl- InChIKey
YCJIZVSZSOSLHO-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2FN2O
- Average molar mass
- 299.12 g/mol
- Monoisotopic mass
- 298.0075965
Names & identifiers
- Preferred name
- 3-Cyclopropylamino-2-(2,4-dichloro-5-fluorobenzoyl)acrylonitrile
- IUPAC
- 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)prop-2-enenitrile
Names & synonyms
SCHEMBL9860561YCJIZVSZSOSLHO-UHFFFAOYSA-N3-cyclopropylamino-2-(2,4-dichloro-5-fluorobenzoyl)acrylonitrile
Database identifiers
- PubChem CID
- 67944919
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 441
Related reactions
1 records
Compound notes
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