Basic information
- Standard SMILES
O=Cc1c(-c2cc(F)c(F)cc2F)nn(-c2ccccc2)c1Cl- InChIKey
CXYUGQNFFCBVMC-UHFFFAOYSA-N- Molecular formula
- C16H8ClF3N2O
- Average molar mass
- 336.69 g/mol
- Monoisotopic mass
- 336.0277251
Names & identifiers
- Preferred name
- 5-chloro-1-phenyl-3-(2,4,5-trifluorophenyl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 5-chloro-1-phenyl-3-(2,4,5-trifluorophenyl)pyrazole-4-carbaldehyde
Names & synonyms
SCHEMBL14957834CXYUGQNFFCBVMC-UHFFFAOYSA-N5-chloro-1-phenyl-3-(2,4,5-trifluorophenyl)-1H-pyrazole-4-carbaldehyde
Database identifiers
- PubChem CID
- 86685262
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Related reactions
1 records
Compound notes
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