| CAS Number | 1609396-23-7 |
| Catalog Number | AG00J2QQ(AGN-PC-0WB636) |
| Chemical Name | 3-(Bromomethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole |
| IUPAC Name | 3-(bromomethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C4H2BrF3N2O/c5-1-2-9-3(11-10-2)4(6,7)8/h1H2 |
| InChI Key | YVPVZXKCPVFONX-UHFFFAOYSA-N |
| MDL Number | MFCD26938426 |
| Molecular Formula | C4H2BrF3N2O |
| Molecular Weight | 230.9707 |
| SMILES | C(C1=NOC(=N1)C(F)(F)F)Br |
| Synonyms | 3-(bromomethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole,
1609396-23-7,
ALBB-027700,
MFCD26938426,
ZINC96032263,
AKOS022186640,
T5722,
1,2,4-oxadiazole, 3-(bromomethyl)-5-(trifluoromethyl)-,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.972g/mol |
| Monoisotopic Mass | 229.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number