| CAS Number | 119738-08-8 |
| Catalog Number | AG019L3F(AGN-PC-0WO18P) |
| Chemical Name | 5-(1-Chloroethyl)-3-propyl-1,2,4-oxadiazole |
| IUPAC Name | 5-(1-chloroethyl)-3-propyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C7H11ClN2O/c1-3-4-6-9-7(5(2)8)11-10-6/h5H,3-4H2,1-2H3 |
| InChI Key | KZHHANWXUVKDMY-UHFFFAOYSA-N |
| MDL Number | MFCD09802199 |
| Molecular Formula | C7H11ClN2O |
| Molecular Weight | 174.6280 |
| SMILES | CCCC1N=C(C(Cl)C)ON=1 |
| Synonyms | 5-(1-chloroethyl)-3-propyl-1,2,4-oxadiazole,
119738-08-8,
AC1Q2V40,
SCHEMBL9449943,
CTK6D5096,
AKOS009151805,
MCULE-3159811716,
NE61638,
EN300-29697,
|
| Complexity | 123 |
| 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 | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number