| CAS Number | 1184620-01-6 |
| Catalog Number | AG01BTCP |
| Chemical Name | 3-(4-bromophenyl)-5-chloro-1,2,4-oxadiazole |
| IUPAC Name | 3-(4-bromophenyl)-5-chloro-1,2,4-oxadiazole |
| InChI | InChI=1S/C8H4BrClN2O/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H |
| InChI Key | FMPZVWXNFOKUER-UHFFFAOYSA-N |
| MDL Number | MFCD12774167 |
| Molecular Formula | C8H4BrClN2O |
| Molecular Weight | 259.4872 |
| SMILES | ClC1ON=C(C2=CC=C(Br)C=C2)N=1 |
| Synonyms | 3-(4-BROMOPHENYL)-5-CHLORO-1,2,4-OXADIAZOLE,
1184620-01-6,
ZINC37926778,
AB66334,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.487g/mol |
| Monoisotopic Mass | 257.92g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number