| CAS Number | 40016-06-6 |
| Catalog Number | AG019M0L(AGN-PC-015XPD) |
| Chemical Name | 2-Tert-butyl-5-(chloromethyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-tert-butyl-5-(chloromethyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C7H11ClN2O/c1-7(2,3)6-10-9-5(4-8)11-6/h4H2,1-3H3 |
| InChI Key | QIITUCORMJJTAC-UHFFFAOYSA-N |
| MDL Number | MFCD09051252 |
| Molecular Formula | C7H11ClN2O |
| Molecular Weight | 174.6280 |
| SMILES | CC(C1OC(CCl)=NN=1)(C)C |
| Synonyms | 2-tert-butyl-5-(chloromethyl)-1,3,4-oxadiazole,
40016-06-6,
2-(tert-Butyl)-5-(chloromethyl)-1,3,4-oxadiazole,
AC1Q1MDG,
SCHEMBL1400309,
CTK6H7004,
QIITUCORMJJTAC-UHFFFAOYSA-N,
ZINC12480326,
AKOS000134588,
AB49605,
NE46865,
SC-34207,
EN300-33628,
2-t-butyl-5-(chloromethyl)-1,3,4-oxadiazole,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.628g/mol |
| Monoisotopic Mass | 174.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number