| CAS Number | 1092301-09-1 |
| Catalog Number | AG019WXL(AGN-PC-0WOCNA) |
| Chemical Name | 5-butyl-3-(chloromethyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-butyl-3-(chloromethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C7H11ClN2O/c1-2-3-4-7-9-6(5-8)10-11-7/h2-5H2,1H3 |
| InChI Key | QMJCZRZSENJKDN-UHFFFAOYSA-N |
| MDL Number | MFCD10691081 |
| Molecular Formula | C7H11ClN2O |
| Molecular Weight | 174.6280 |
| SMILES | CCCCC1ON=C(CCl)N=1 |
| Synonyms | 5-butyl-3-(chloromethyl)-1,2,4-oxadiazole,
1092301-09-1,
AC1Q2VKO,
SCHEMBL11698094,
CTK6D6576,
ZINC26515920,
AKOS009253131,
NE29918,
EN300-53444,
|
| Complexity | 113 |
| 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 | 4 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number