| CAS Number | 1594041-90-3 |
| Catalog Number | AG01B17Z(AGN-PC-0WOS3O) |
| Chemical Name | 2-Bromo-5-(difluoromethyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C3HBrF2N2O/c4-3-8-7-2(9-3)1(5)6/h1H |
| InChI Key | YZDADKMPMYFCQG-UHFFFAOYSA-N |
| MDL Number | MFCD27980874 |
| Molecular Formula | C3HBrF2N2O |
| Molecular Weight | 198.9536 |
| SMILES | FC(C1OC(Br)=NN=1)F |
| Synonyms | 2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole,
1594041-90-3,
SCHEMBL17845452,
ZINC96034528,
AKOS026742201,
NE19784,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.955g/mol |
| Monoisotopic Mass | 197.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number