Basic information
- Standard SMILES
Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(C=O)cc12- InChIKey
NQBORUXLWQCSKE-UHFFFAOYSA-N- Molecular formula
- C17H12ClF3N2O
- Average molar mass
- 352.7 g/mol
- Monoisotopic mass
- 352.0590252
Names & identifiers
- Preferred name
- 1-(4-Chloro-2-trifluoromethyl-benzyl)-3-methyl-1H-indazole-5-carbaldehyde
- IUPAC
- 1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methylindazole-5-carbaldehyde
Names & synonyms
1-(4-Chloro-2-trifluoromethyl-benzyl)-3-methyl-1H-indazole-5-carbaldehydeSCHEMBL16926111-[4-chloro-2-(trifluoromethyl)benzyl]-3-methyl-1H-indazol-5-carbaldehyde
Database identifiers
- PubChem CID
- 86654591
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Related reactions
7 records
Compound notes
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