3,4-Dimethyl-5-(trifluoromethyl)-1,2-oxazole
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Basic information
- CAS
161144-77-0- Standard SMILES
Cc1noc(C(F)(F)F)c1C- InChIKey
SNGZSNSIVNMYLY-UHFFFAOYSA-N- Molecular formula
- C6H6F3NO
- Average molar mass
- 165.11 g/mol
Names & identifiers
- Preferred name
- 3,4-Dimethyl-5-(trifluoromethyl)-1,2-oxazole
- IUPAC
- 3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole
- English name
- Isoxazole, 3,4-dimethyl-5-(trifluoromethyl)- (9CI)
- Molecular formula
- C6H6F3NO
- Molecular weight
- 165.11
Names & synonyms
3,4-dimethyl-5-(trifluoromethyl)-1,2-oxazole161144-77-0SCHEMBL8264536SNGZSNSIVNMYLY-UHFFFAOYSA-NIsoxazole, 3,4-dimethyl-5-(trifluoromethyl)-Isoxazole, 3,4-dimethyl-5-(trifluoromethyl)- (9CI)
Database identifiers
- CAS
161144-77-0
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 155.3 · 155.3±35.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- -3.19 · -3.19±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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