| CAS Number | 1152521-09-9 |
| Catalog Number | AG01BRLO |
| Chemical Name | 2-(4-chloro-2-nitrophenyl)-5-(chloromethyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(chloromethyl)-5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C9H5Cl2N3O3/c10-4-8-12-13-9(17-8)6-2-1-5(11)3-7(6)14(15)16/h1-3H,4H2 |
| InChI Key | KKMRQTLKPLRCJD-UHFFFAOYSA-N |
| MDL Number | MFCD10692674 |
| Molecular Formula | C9H5Cl2N3O3 |
| Molecular Weight | 274.0603 |
| SMILES | [O-][N+](C1=C(C2OC(CCl)=NN=2)C=CC(Cl)=C1)=O |
| Synonyms | 2-(4-chloro-2-nitrophenyl)-5-(chloromethyl)-1,3,4-oxadiazole,
1152521-09-9,
ZINC34963916,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.057g/mol |
| Monoisotopic Mass | 272.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number