| CAS Number | 1195-26-2 |
| Catalog Number | AG01AHBL |
| Chemical Name | 2-Methyl-5-(trichloromethyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-methyl-5-(trichloromethyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C4H3Cl3N2O/c1-2-8-9-3(10-2)4(5,6)7/h1H3 |
| InChI Key | DOQORJAFSVBZPF-UHFFFAOYSA-N |
| MDL Number | MFCD18838676 |
| Molecular Formula | C4H3Cl3N2O |
| Molecular Weight | 201.4384 |
| SMILES | CC1OC(C(Cl)(Cl)Cl)=NN=1 |
| Synonyms | 2-methyl-5-(trichloromethyl)-1,3,4-oxadiazole,
1195-26-2,
ZINC68589905,
AKOS033184883,
MCULE-2591505761,
NE16371,
EN300-74260,
Z1238477801,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.431g/mol |
| Monoisotopic Mass | 199.931g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number