| CAS Number | 942035-93-0 |
| Catalog Number | AG01AG57(AGN-PC-0WO8WF) |
| Chemical Name | 3-(Chloromethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole |
| IUPAC Name | 3-(chloromethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H5ClF2N2O/c10-4-8-13-9(15-14-8)6-2-1-5(11)3-7(6)12/h1-3H,4H2 |
| InChI Key | OJEHETOHWDPGQW-UHFFFAOYSA-N |
| MDL Number | MFCD09859898 |
| Molecular Formula | C9H5ClF2N2O |
| Molecular Weight | 230.5986 |
| SMILES | FC1=CC(F)=C(C2ON=C(CCl)N=2)C=C1 |
| Synonyms | 3-(chloromethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole,
942035-93-0,
ZINC34955973,
AKOS005202685,
NE26427,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.599g/mol |
| Monoisotopic Mass | 230.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number