| CAS Number | 119738-11-3 |
| Catalog Number | AG019L0Z(AGN-PC-0WOA4G) |
| Chemical Name | 3-tert-butyl-5-(1-chloroethyl)-1,2,4-oxadiazole |
| IUPAC Name | 3-tert-butyl-5-(1-chloroethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C8H13ClN2O/c1-5(9)6-10-7(11-12-6)8(2,3)4/h5H,1-4H3 |
| InChI Key | MOJSUKJPSSEAOZ-UHFFFAOYSA-N |
| MDL Number | MFCD09802144 |
| Molecular Formula | C8H13ClN2O |
| Molecular Weight | 188.6546 |
| SMILES | CC(C1ON=C(C(C)(C)C)N=1)Cl |
| Synonyms | 3-tert-butyl-5-(1-chloroethyl)-1,2,4-oxadiazole,
119738-11-3,
AC1Q2AZR,
SCHEMBL9449998,
CTK6A6207,
STL451557,
AKOS009148969,
MCULE-3242358865,
NE40361,
EN300-29454,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.655g/mol |
| Monoisotopic Mass | 188.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number