| CAS Number | 1956364-52-5 |
| Catalog Number | AG01DHJW |
| Chemical Name | 3-(2-Chloro-5-fluorophenyl)-5-(chloromethyl)-1,2,4-oxadiazole |
| IUPAC Name | 3-(2-chloro-5-fluorophenyl)-5-(chloromethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H5Cl2FN2O/c10-4-8-13-9(14-15-8)6-3-5(12)1-2-7(6)11/h1-3H,4H2 |
| InChI Key | REQBNHODWZCLHL-UHFFFAOYSA-N |
| MDL Number | MFCD28390309 |
| Molecular Formula | C9H5Cl2FN2O |
| Molecular Weight | 247.0532 |
| SMILES | ClCc1onc(n1)c1cc(F)ccc1Cl |
| Synonyms | 3-(2-Chloro-5-fluorophenyl)-5-(chloromethyl)-1,2,4-oxadiazole,
1956364-52-5,
MFCD28390309,
ZINC96032025,
AKOS027256282,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.05g/mol |
| Monoisotopic Mass | 245.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number