| CAS Number | 933673-61-1 |
| Catalog Number | AG00H325 |
| Chemical Name | 3-Bromo-5-(trifluoromethyl)isoxazole |
| IUPAC Name | 3-bromo-5-(trifluoromethyl)-1,2-oxazole |
| InChI | InChI=1S/C4HBrF3NO/c5-3-1-2(10-9-3)4(6,7)8/h1H |
| InChI Key | QNRHCAQNLPLUOM-UHFFFAOYSA-N |
| MDL Number | MFCD06660139 |
| Molecular Formula | C4HBrF3NO |
| Molecular Weight | 215.9560 |
| SMILES | C1=C(C(F)(F)F)ON=C1Br |
| Synonyms | 933673-61-1,
3-bromo-5-(trifluoromethyl)-1,2-oxazole,
3-BROMO-5-TRIFLUOROMETHYL-ISOXAZOLE,
3-Bromo-5-(trifluoromethyl)isoxazole,
C4HBrF3NO,
AC1MC7Z6,
DTXSID50376823,
ZINC4198775,
2203AJ,
AJ-48260,
Z-7559,
ZINC04198775,
CID2763222,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.957g/mol |
| Monoisotopic Mass | 214.919g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number