| CAS Number | 1783613-25-1 |
| Catalog Number | AG01A2NG |
| Chemical Name | 3-(methoxymethyl)-5-(trichloromethyl)-1,2,4-oxadiazole |
| IUPAC Name | 3-(methoxymethyl)-5-(trichloromethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C5H5Cl3N2O2/c1-11-2-3-9-4(12-10-3)5(6,7)8/h2H2,1H3 |
| InChI Key | XVMWVDAILDQEAT-UHFFFAOYSA-N |
| MDL Number | MFCD28559077 |
| Molecular Formula | C5H5Cl3N2O2 |
| Molecular Weight | 231.4644 |
| SMILES | COCC1N=C(C(Cl)(Cl)Cl)ON=1 |
| Synonyms | 3-(methoxymethyl)-5-(trichloromethyl)-1,2,4-oxadiazole,
1783613-25-1,
STL451541,
ZINC96347470,
AKOS024124090,
MCULE-6098752328,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.457g/mol |
| Monoisotopic Mass | 229.942g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number