Basic information
- Standard SMILES
O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc2c(c1)OCCN2c1ccc(C(F)(F)F)cc1Br- InChIKey
HGWNXKGWIGYDSW-UHFFFAOYSA-N- Molecular formula
- C21H10BrF8NO4S
- Average molar mass
- 604.3 g/mol
Names & identifiers
- Preferred name
- perfluorophenyl 4-(2-bromo-4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonate
- IUPAC
- (2,3,4,5,6-pentafluorophenyl) 4-[2-bromo-4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonate
Names & synonyms
perfluorophenyl 4-(2-bromo-4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonateSCHEMBL15202346
Database identifiers
- PubChem CID
- 89761935
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 863
Related reactions
3 records
Compound notes
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