| CAS Number | 1368940-10-6 |
| Catalog Number | AG01AG1B(AGN-PC-0WOA0D) |
| Chemical Name | 2-Bromo-5-cyclopropyl-1,3,4-oxadiazole |
| IUPAC Name | 2-bromo-5-cyclopropyl-1,3,4-oxadiazole |
| InChI | InChI=1S/C5H5BrN2O/c6-5-8-7-4(9-5)3-1-2-3/h3H,1-2H2 |
| InChI Key | CDPWXZZYEQFJFI-UHFFFAOYSA-N |
| MDL Number | MFCD21881292 |
| Molecular Formula | C5H5BrN2O |
| Molecular Weight | 189.0100 |
| SMILES | BrC1OC(C2CC2)=NN=1 |
| Synonyms | 2-bromo-5-cyclopropyl-1,3,4-oxadiazole,
1368940-10-6,
SCHEMBL20456851,
ZINC71500319,
AKOS022536742,
NE48198,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.012g/mol |
| Monoisotopic Mass | 187.959g/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