3-Methyl-5-(trifluoromethyl)isoxazole-4-carbonyl chloride
Basic information
- CAS
517920-77-3- Standard SMILES
Cc1noc(C(F)(F)F)c1C(=O)Cl- InChIKey
LBYWKQKWBJMFKM-UHFFFAOYSA-N- Molecular formula
- C6H3ClF3NO2
- Average molar mass
- 213.54 g/mol
- Monoisotopic mass
- 212.9804405
Names & identifiers
- Preferred name
- 3-Methyl-5-(trifluoromethyl)isoxazole-4-carbonyl chloride
- IUPAC
- 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl chloride
Names & synonyms
3-Methyl-5-(trifluoromethyl)isoxazole-4-carbonyl chloride517920-77-33-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl chloride4-Isoxazolecarbonyl chloride, 3-methyl-5-(trifluoromethyl)-DTXSID201189702SBB094844
Database identifiers
- CAS
517920-77-3- PubChem CID
- 2775643
- DTXSID
DTXSID201189702
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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