Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(C=O)cc1C(F)(F)F- InChIKey
IYVXTAKYISBNDZ-UHFFFAOYSA-N- Molecular formula
- C9H7F3O3S
- Average molar mass
- 252.21 g/mol
Names & identifiers
- Preferred name
- 4-Methanesulfonyl-3-trifluoromethyl-benzaldehyde
- IUPAC
- 4-methylsulfonyl-3-(trifluoromethyl)benzaldehyde
Names & synonyms
4-(Methylsulfonyl)-3-(trifluoromethyl)benzaldehyde1357608-62-84-methanesulfonyl-3-trifluoromethyl-benzaldehyde4-methanesulfonyl-3-trifluoromethylbenzaldehydeSCHEMBL2393712AT16405DB-332373A1-36427
Database identifiers
- PubChem CID
- 71479906
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 355
Related reactions
3 records
Compound notes
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