| CAS Number | 1312700-11-0 |
| Catalog Number | AG00HSEY(AGN-PC-0WB63H) |
| Chemical Name | 3-(Bromomethyl)-5-isopropyl-1,2,4-oxadiazole |
| IUPAC Name | 3-(bromomethyl)-5-propan-2-yl-1,2,4-oxadiazole |
| InChI | InChI=1S/C6H9BrN2O/c1-4(2)6-8-5(3-7)9-10-6/h4H,3H2,1-2H3 |
| InChI Key | MIBHNBZCYPLNDE-UHFFFAOYSA-N |
| MDL Number | MFCD22422035 |
| Molecular Formula | C6H9BrN2O |
| Molecular Weight | 205.0525 |
| SMILES | N1C(CBr)=NOC=1C(C)C |
| Synonyms | 3-(bromomethyl)-5-isopropyl-1,2,4-oxadiazole,
1312700-11-0,
ALBB-022341,
MFCD22422035,
ZINC81947244,
AKOS015997887,
Y-8500,
3-(bromomethyl)-5-(propan-2-yl)-1,2,4-oxadiazole,
1,2,4-oxadiazole, 3-(bromomethyl)-5-(1-methylethyl)-,
3-(bromomethyl)-5-propan-2-yl-1,2,4-oxadiazole,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.055g/mol |
| Monoisotopic Mass | 203.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number