| CAS Number | 132630-83-2 |
| Catalog Number | AG00HSOU(AGN-PC-003NEI) |
| Chemical Name | 2-(2,4,5-Trifluoro-3-methylphenyl)-4,5-dihydro-4,4-dimethyloxazole |
| IUPAC Name | 4,4-dimethyl-2-(2,4,5-trifluoro-3-methylphenyl)-5H-1,3-oxazole |
| InChI | InChI=1S/C12H12F3NO/c1-6-9(14)7(4-8(13)10(6)15)11-16-12(2,3)5-17-11/h4H,5H2,1-3H3 |
| InChI Key | SLWCAJZXIPUHCV-UHFFFAOYSA-N |
| MDL Number | MFCD16620360 |
| Molecular Formula | C12H12F3NO |
| Molecular Weight | 243.225 |
| SMILES | CC1=C(F)C(=CC(F)=C1F)C1=NC(C)(C)CO1 |
| Synonyms | 132630-83-2,
2-(2,4,5-Trifluoro-3-methylphenyl)-4,5-dihydro-4,4-dimethyloxazole,
2-(2,4,5-trifluoro-3-methylphenyl)-4,4-dimethyl-2-oxazoline,
4,4-Dimethyl-2-(2,4,5-trifluoro-3-methylphenyl)-4,5-dihydrooxazole,
SCHEMBL9087397,
SLWCAJZXIPUHCV-UHFFFAOYSA-N,
MFCD16620360,
ZINC34454699,
AS-44869,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.229g/mol |
| Monoisotopic Mass | 243.087g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number