| CAS Number | 1306604-33-0 |
| Catalog Number | AG01AI3A(AGN-PC-0WO6T6) |
| Chemical Name | 5-(2-bromophenyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(2-bromophenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C8H5BrN2O/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H |
| InChI Key | LQWHRLJFQJMTHK-UHFFFAOYSA-N |
| MDL Number | MFCD18838811 |
| Molecular Formula | C8H5BrN2O |
| Molecular Weight | 225.0421 |
| SMILES | BrC1=C(C2ON=CN=2)C=CC=C1 |
| Synonyms | 5-(2-bromophenyl)-1,2,4-oxadiazole,
1306604-33-0,
ZINC68590690,
AKOS024095315,
NE54703,
EN300-76614,
F8889-3402,
Z1259040930,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.045g/mol |
| Monoisotopic Mass | 223.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number