| CAS Number | 493019-55-9 |
| Catalog Number | AG00DZBF(AGN-PC-0OAYM9) |
| Chemical Name | (3-(trifluoromethyl)isoxazol-4-yl)methanol |
| IUPAC Name | [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanol |
| InChI | InChI=1S/C5H4F3NO2/c6-5(7,8)4-3(1-10)2-11-9-4/h2,10H,1H2 |
| InChI Key | DRDAOAVCRWYCHS-UHFFFAOYSA-N |
| MDL Number | MFCD18833180 |
| Molecular Formula | C5H4F3NO2 |
| Molecular Weight | 167.0860 |
| SMILES | OCC1C(C(F)(F)F)=NOC=1 |
| Synonyms | (3-(Trifluoromethyl)isoxazol-4-yl)methanol,
493019-55-9,
MFCD18833180,
ZINC39113252,
AS-36633,
4-Isoxazolemethanol,3-(trifluoromethyl)-(9CI),
[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanol,
4-Isoxazolemethanol, 3-(trifluoromethyl)- (9CI),
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.087g/mol |
| Monoisotopic Mass | 167.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number