| CAS Number | 161144-75-8 |
| Catalog Number | AG00ALMZ(AGN-PC-00ZHB3) |
| Chemical Name | 3-Methyl-5-(trifluoromethyl)-1,2-oxazole |
| IUPAC Name | 3-methyl-5-(trifluoromethyl)-1,2-oxazole |
| InChI | InChI=1S/C5H4F3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3 |
| InChI Key | BZKMEDLXICLGEE-UHFFFAOYSA-N |
| MDL Number | MFCD07423442 |
| Molecular Formula | C5H4F3NO |
| Molecular Weight | 151.0866 |
| SMILES | CC1=NOC(C(F)(F)F)=C1 |
| Synonyms | 3-methyl-5-(trifluoromethyl)isoxazole,
161144-75-8,
3-methyl-5-(trifluoromethyl)-1,2-oxazole,
Isoxazole, 3-methyl-5-(trifluoromethyl)- (9CI),
SCHEMBL9911981,
FCH856125,
MFCD07423442,
SBB026103,
STK353030,
ZINC12398509,
AKOS002263162,
MCULE-9728534974,
ST45133950,
EN300-231973,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.088g/mol |
| Monoisotopic Mass | 151.024g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number