| CAS Number | 923809-15-8 |
| Catalog Number | AG019KAA |
| Chemical Name | 5-(3-chloropropyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
| IUPAC Name | 5-(3-chloropropyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
| InChI | InChI=1S/C12H10ClF3N2O/c13-6-2-5-10-17-11(18-19-10)8-3-1-4-9(7-8)12(14,15)16/h1,3-4,7H,2,5-6H2 |
| InChI Key | UZQNAQMFBAPIIJ-UHFFFAOYSA-N |
| MDL Number | MFCD08691229 |
| Molecular Formula | C12H10ClF3N2O |
| Molecular Weight | 290.6688 |
| SMILES | FC(C1=CC(C2N=C(CCCCl)ON=2)=CC=C1)(F)F |
| Synonyms | 5-(3-chloropropyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole,
923809-15-8,
AC1Q4IS5,
CTK6H7819,
ZINC9256931,
AKOS009104239,
MCULE-3053932656,
NE61323,
EN300-26167,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.67g/mol |
| Monoisotopic Mass | 290.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number