Basic information
- Standard SMILES
COc1ccc(C=O)c(F)c1S(=O)(=O)C(F)(F)F- InChIKey
CNCVMMWJFOKGQV-UHFFFAOYSA-N- Molecular formula
- C9H6F4O4S
- Average molar mass
- 286.2 g/mol
- Monoisotopic mass
- 285.99229249
Names & identifiers
- Preferred name
- 2-Fluoro-4-methoxy-3-trifluoromethanesulfonyl benzaldehyde
- IUPAC
- 2-fluoro-4-methoxy-3-(trifluoromethylsulfonyl)benzaldehyde
Names & synonyms
2-fluoro-4-methoxy-3-trifluoromethanesulfonyl benzaldehydeSCHEMBL5485164
Database identifiers
- PubChem CID
- 22268331
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 400
Related reactions
5 records
Linked notes
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