Basic information
- CAS
118828-45-8- Standard SMILES
Oc1cccc(-c2noc(C(F)(F)F)n2)c1- InChIKey
AZQNOBNFAUFJFP-UHFFFAOYSA-N- Molecular formula
- C9H5F3N2O2
- Average molar mass
- 230.14 g/mol
- Monoisotopic mass
- 230.03031189
Names & identifiers
- Preferred name
- 3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol
- IUPAC
- 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol
Names & synonyms
3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol118828-45-8SCHEMBL28659405AZQNOBNFAUFJFP-UHFFFAOYSA-NDTXSID401227879DB-136241
Database identifiers
- CAS
118828-45-8- PubChem CID
- 85579796
- DTXSID
DTXSID401227879
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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