5-Bromo-7-methyl-2-(trifluoromethyl)quinolin-6-yl trifluoromethanesulfonate
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Basic information
- Standard SMILES
Cc1cc2nc(C(F)(F)F)ccc2c(Br)c1OS(=O)(=O)C(F)(F)F- InChIKey
DJSOFOAGKPTNOK-UHFFFAOYSA-N- Molecular formula
- C12H6BrF6NO3S
- Average molar mass
- 438.14 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-7-methyl-2-(trifluoromethyl)quinolin-6-yl trifluoromethanesulfonate
- IUPAC
- [5-bromo-7-methyl-2-(trifluoromethyl)quinolin-6-yl] trifluoromethanesulfonate
Names & synonyms
5-bromo-7-methyl-2-(trifluoromethyl)quinolin-6-yl trifluoromethanesulfonateSCHEMBL3294109
Database identifiers
- PubChem CID
- 86691978
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 561
Related reactions
2 records
Compound notes
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