Basic information
- CAS
312505-97-8- Standard SMILES
Oc1ccccc1-c1cc(C(F)(F)F)on1- InChIKey
BYDNWVIKLHIWSM-UHFFFAOYSA-N- Molecular formula
- C10H6F3NO2
- Average molar mass
- 229.15 g/mol
- Monoisotopic mass
- 229.03506292
Names & identifiers
- Preferred name
- 2-[5-(Trifluoromethyl)isoxazol-3-yl]phenol
- IUPAC
- 2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol
- English name
- 2-[5-(Trifluoromethyl)isoxazol-3-yl]phenol
- Molecular formula
- C10H6F3NO2
- Molecular weight
- 229.16
Names & synonyms
312505-97-82-[5-(trifluoromethyl)-3-isoxazolyl]phenol2-[5-(trifluoromethyl)isoxazol-3-yl]phenol2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol2-(5-(Trifluoromethyl)isoxazol-3-yl)phenolMFCD01419244ZINC00237601DTXSID50425224BYDNWVIKLHIWSM-UHFFFAOYSA-NSTK701133AKOS001738170ST009424
Show more names
CHEMBRDG-BB 60013592-[5-(TRIFLUOROMETHYL)ISOXAZOLE-3-YL]PHENOL2-[5-(trifluoromethyl)-3-isoxazolyl]phenol(SALTDATA: FREE)
DB-028918ST4043032EU-0072420AB00101828-01Phenol, 2-[5-(trifluoromethyl)-3-isoxazolyl]-AG-205/12140002SR-01000441856SR-01000441856-1
Database identifiers
- CAS
312505-97-8- PubChem CID
- 763516
- DTXSID
DTXSID50425224
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Chemistry & industry
Suppliers2 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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