Basic information
- Standard SMILES
O=Cc1c(OS(=O)(=O)C(F)(F)F)ccc2cc(Br)ccc12- InChIKey
KRJCBLOGBABDOL-UHFFFAOYSA-N- Molecular formula
- C12H6BrF3O4S
- Average molar mass
- 383.14 g/mol
- Monoisotopic mass
- 381.91223
Names & identifiers
- Preferred name
- 6-Bromo-1-formyl-2-naphthyl trifluoromethanesulfonate
- IUPAC
- (6-bromo-1-formylnaphthalen-2-yl) trifluoromethanesulfonate
Names & synonyms
6-bromo-1-formyl-2-naphthyl trifluoromethanesulfonateSCHEMBL1414936
Database identifiers
- PubChem CID
- 23398160
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 488
Related reactions
1 records
Compound notes
Loading…