{3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}(phenyl)methanone
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Basic information
- CAS
478030-83-0- Standard SMILES
O=C(c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1- InChIKey
SRXPOCXFPQYJEV-UHFFFAOYSA-N- Molecular formula
- C16H8ClF3N2O2
- Average molar mass
- 352.69 g/mol
- Monoisotopic mass
- 352.0226397
Names & identifiers
- Preferred name
- {3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}(phenyl)methanone
- IUPAC
- [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethanone
- English name
- (3-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-5-ISOXAZOLYL)(PHENYL)METHANONE
- Molecular formula
- C16H8ClF3N2O2
- Molecular weight
- 352.7
Names & synonyms
478030-83-0{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}(phenyl)methanone2-(5-benzoyl-1,2-oxazol-3-yl)-3-chloro-5-(trifluoromethyl)pyridine[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl]-phenylmethanoneBionet1_002785HMS576H07MFCD01315022AKOS0050874963G-021[3-[3-chloro-5-(trifluoromethyl)-2-pyridyl]isoxazol-5-yl]-phenyl-methanone(3-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)isoxazol-5-yl)(phenyl)methanone(3-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-5-ISOXAZOLYL)(PHENYL)METHANONE
Show more names
Methanone, [3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl]phenyl-
Database identifiers
- CAS
478030-83-0- PubChem CID
- 1473734
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Boiling point
- 441.7 · 441.7±45.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- -4.34 · -4.34±0.39(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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