Basic information
- Standard SMILES
C=C(C(=O)c1ccc(Cl)cc1Cl)n1cncn1- InChIKey
ABWFQRJJQYNWCB-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2N3O
- Average molar mass
- 268.1 g/mol
Names & identifiers
- Preferred name
- 2',4'-Dichloro-2-(1H-1,2,4-triazol-1-yl)prop-2-enophenone
- IUPAC
- 1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
Names & synonyms
SCHEMBL10529985ABWFQRJJQYNWCB-UHFFFAOYSA-N2',4'-Dichloro-2-(1H-1,2,4-triazol-1-yl)prop-2-enophenone
Database identifiers
- PubChem CID
- 21294611
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
2 records
Compound notes
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