Basic information
- Standard SMILES
O=C(c1ccc(Cl)cc1Cl)C1(n2cncn2)CC1- InChIKey
QHXDCYMGKJITQT-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2N3O
- Average molar mass
- 282.12 g/mol
Names & identifiers
- Preferred name
- 1-(1H-1,2,4-Triazol-1-yl)cyclopropyl 2,4-dichlorophenyl ketone
- IUPAC
- (2,4-dichlorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone
Names & synonyms
SCHEMBL10527145QHXDCYMGKJITQT-UHFFFAOYSA-N1-(1-H-1,2,4-Triazol-1-yl)cyclopropyl 2,4-dichlorophenyl ketone1-(1H-1,2,4-Triazol-1-yl)cyclopropyl 2,4-dichlorophenyl ketone
Database identifiers
- PubChem CID
- 21294612
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
Related reactions
2 records
Compound notes
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