Basic information
- Standard SMILES
OCc1ccc2nc(-c3ccc(Cl)c(C(F)(F)F)c3)oc2c1- InChIKey
RDXORKWPWSCIHD-UHFFFAOYSA-N- Molecular formula
- C15H9ClF3NO2
- Average molar mass
- 327.68 g/mol
- Monoisotopic mass
- 327.0273907
Names & identifiers
- Preferred name
- {2-[4-Chloro-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl}methanol
- IUPAC
- [2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]methanol
Names & synonyms
820241-12-1(2-(4-Chloro-3-(trifluoromethyl)phenyl)benzo[d]oxazol-6-yl)methanol{2-[4-Chloro-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl}methanolSCHEMBL2946470DTXSID40738375[2-(4-chloro-3-trifluoromethyl-phenyl)-benzooxazol-6-yl]-methanol
Database identifiers
- CAS
820241-12-1- PubChem CID
- 68453052
- DTXSID
DTXSID40738375
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
3 records
Linked notes
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