Basic information
- Standard SMILES
O=S(=O)(Oc1cc2c(cc1CBr)CCCC2)C(F)(F)F- InChIKey
PPPBIAYINYZOLW-UHFFFAOYSA-N- Molecular formula
- C12H12BrF3O3S
- Average molar mass
- 373.19 g/mol
- Monoisotopic mass
- 371.96426
Names & identifiers
- Preferred name
- 3-(Bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl trifluoromethanesulfonate
- IUPAC
- [3-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl] trifluoromethanesulfonate
Names & synonyms
3-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl trifluoromethanesulfonateSCHEMBL1506497944317-60-6DA-24966
Database identifiers
- PubChem CID
- 57576301
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 432
Related reactions
4 records
Compound notes
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