Basic information
- Standard SMILES
O=S(=O)(Oc1ccc(-c2nc3ccccc3o2)cc1Cl)C(F)(F)F- InChIKey
ZQBSUCSJGIZJLR-UHFFFAOYSA-N- Molecular formula
- C14H7ClF3NO4S
- Average molar mass
- 377.7 g/mol
Names & identifiers
- Preferred name
- 4-(1,3-Benzoxazol-2-yl)-2-chlorophenyl trifluoromethanesulfonate
- IUPAC
- [4-(1,3-benzoxazol-2-yl)-2-chlorophenyl] trifluoromethanesulfonate
Names & synonyms
4-(1,3-benzoxazol-2-yl)-2-chlorophenyl trifluoromethanesulfonateSCHEMBL5831846
Database identifiers
- PubChem CID
- 21990962
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
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