| CAS Number | 119738-15-7 |
| Catalog Number | AG018RXC(AGN-PC-0WBPYP) |
| Chemical Name | 5-(1-Chloroethyl)-3-ethyl-1,2,4-oxadiazole |
| IUPAC Name | 5-(1-chloroethyl)-3-ethyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C6H9ClN2O/c1-3-5-8-6(4(2)7)10-9-5/h4H,3H2,1-2H3 |
| InChI Key | BWOGFLPPYSALHT-UHFFFAOYSA-N |
| MDL Number | MFCD09403608 |
| Molecular Formula | C6H9ClN2O |
| Molecular Weight | 160.6015 |
| SMILES | ClC(C)C1=NC(=NO1)CC |
| Synonyms | 5-(1-chloroethyl)-3-ethyl-1,2,4-oxadiazole,
119738-15-7,
AC1Q2U8X,
SCHEMBL9449745,
CTK6D2842,
AKOS009130486,
MCULE-8283272686,
NE27419,
EN300-28275,
F8881-4427,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.601g/mol |
| Monoisotopic Mass | 160.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number