Basic information
- Standard SMILES
O=S(=O)(Oc1cccc(Cc2ccccc2)n1)C(F)(F)F- InChIKey
DYDWNBBKGYZVAT-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO3S
- Average molar mass
- 317.29 g/mol
Names & identifiers
- Preferred name
- 2-Benzyl-6-pyridyl trifluoromethanesulfonate
- IUPAC
- (6-benzyl-2-pyridinyl) trifluoromethanesulfonate
Names & synonyms
2-benzyl-6-pyridyl trifluoromethanesulfonateSCHEMBL5225940332133-63-8DB-217028
Database identifiers
- PubChem CID
- 21942289
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 427
Related reactions
2 records
Compound notes
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