| CAS Number | 119738-09-9 |
| Catalog Number | AG019L3E(AGN-PC-0WO8JP) |
| Chemical Name | 5-(1-Chloroethyl)-3-(propan-2-yl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(1-chloroethyl)-3-propan-2-yl-1,2,4-oxadiazole |
| InChI | InChI=1S/C7H11ClN2O/c1-4(2)6-9-7(5(3)8)11-10-6/h4-5H,1-3H3 |
| InChI Key | UPWCEHOTWIZDPS-UHFFFAOYSA-N |
| MDL Number | MFCD09802198 |
| Molecular Formula | C7H11ClN2O |
| Molecular Weight | 174.6280 |
| SMILES | CC(C1N=C(C(Cl)C)ON=1)C |
| Synonyms | 5-(1-chloroethyl)-3-(propan-2-yl)-1,2,4-oxadiazole,
5-(1-chloroethyl)-3-isopropyl-1,2,4-oxadiazole,
119738-09-9,
AC1Q1OZ0,
SCHEMBL9449631,
CTK6A6152,
STL451566,
AKOS009151804,
MCULE-8597827122,
NE14457,
EN300-29696,
|
| Complexity | 132 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number