| CAS Number | 1339141-04-6 |
| Catalog Number | AG00HT3B(AGN-PC-0WNR40) |
| Chemical Name | 3-[(2-Bromophenyl)methyl]-5-(chloromethyl)-1,2,4-oxadiazole |
| IUPAC Name | 3-[(2-bromophenyl)methyl]-5-(chloromethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C10H8BrClN2O/c11-8-4-2-1-3-7(8)5-9-13-10(6-12)15-14-9/h1-4H,5-6H2 |
| InChI Key | LECBGDSRRBIMFY-UHFFFAOYSA-N |
| MDL Number | MFCD19688997 |
| Molecular Formula | C10H8BrClN2O |
| Molecular Weight | 287.5403 |
| SMILES | ClCc1onc(n1)Cc1ccccc1Br |
| Synonyms | 3-[(2-bromophenyl)methyl]-5-(chloromethyl)-1,2,4-oxadiazole,
1339141-04-6,
ZINC55334430,
AKOS012124023,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.541g/mol |
| Monoisotopic Mass | 285.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number