| CAS Number | 25977-17-7 |
| Catalog Number | AG019KXU |
| Chemical Name | 3-(Chloromethyl)-5-propyl-1,2,4-oxadiazole |
| IUPAC Name | 3-(chloromethyl)-5-propyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C6H9ClN2O/c1-2-3-6-8-5(4-7)9-10-6/h2-4H2,1H3 |
| InChI Key | IGQFDWPUPCUBDO-UHFFFAOYSA-N |
| MDL Number | MFCD13195802 |
| Molecular Formula | C6H9ClN2O |
| Molecular Weight | 160.6015 |
| SMILES | CCCC1ON=C(CCl)N=1 |
| Synonyms | 3-(chloromethyl)-5-propyl-1,2,4-oxadiazole,
25977-17-7,
AC1Q2V1I,
SCHEMBL11694919,
CTK6D5169,
IGQFDWPUPCUBDO-UHFFFAOYSA-N,
BBL019379,
MFCD13195802,
STL183457,
ZINC20368531,
AKOS009145023,
MCULE-5807379055,
H5539,
EN300-28927,
|
| Complexity | 102 |
| 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 | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number