Basic information
- Standard SMILES
O=Cc1ccc2c(c1)c(I)nn2Cc1ccc(C(F)(F)F)cc1C(F)(F)F- InChIKey
NDVBIYFCLYJMGL-UHFFFAOYSA-N- Molecular formula
- C17H9F6IN2O
- Average molar mass
- 498.16 g/mol
Names & identifiers
- Preferred name
- 1-(2,4-Bis-trifluoromethyl-benzyl)-3-iodo-1H-indazole-5-carbaldehyde
- IUPAC
- 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-iodoindazole-5-carbaldehyde
Names & synonyms
1-(2,4-Bis-trifluoromethyl-benzyl)-3-iodo-1H-indazole-5-carbaldehydeSCHEMBL16938721-[2,4-Bis(trifluoromethyl)benzyl]-3-iodo-1H-indazol-5-carbaldehyde
Database identifiers
- PubChem CID
- 86654585
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Related reactions
21 records
Compound notes
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