| CAS Number | 1152504-39-6 |
| Catalog Number | AG01AHAB(AGN-PC-0WO36W) |
| Chemical Name | 5-[(4-Bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C10H8BrClN2O/c11-8-3-1-7(2-4-8)5-10-13-9(6-12)14-15-10/h1-4H,5-6H2 |
| InChI Key | FVQWOLJBGITBIS-UHFFFAOYSA-N |
| MDL Number | MFCD10694678 |
| Molecular Formula | C10H8BrClN2O |
| Molecular Weight | 287.5403 |
| SMILES | ClCC1N=C(CC2=CC=C(Br)C=C2)ON=1 |
| Synonyms | 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole,
1152504-39-6,
ZINC34955953,
AKOS005203559,
NE27787,
EN300-74164,
|
| Complexity | 200 |
| 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 |
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Certificate of Analysis
Lot Number