| CAS Number | 852399-92-9 |
| Catalog Number | AG00G3XK |
| Chemical Name | 5-(Chloromethyl)-3-(4-(difluoromethoxy)-3-methoxyphenyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazole |
| InChI | InChI=1S/C11H9ClF2N2O3/c1-17-8-4-6(2-3-7(8)18-11(13)14)10-15-9(5-12)19-16-10/h2-4,11H,5H2,1H3 |
| InChI Key | ZKOVEAHABYHMSB-UHFFFAOYSA-N |
| MDL Number | MFCD06655336 |
| Molecular Formula | C11H9ClF2N2O3 |
| Molecular Weight | 290.6506 |
| SMILES | COC1=CC(C2=NOC(CCl)=N2)=CC=C1OC(F)F |
| Synonyms | 5-(chloromethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazole,
852399-92-9,
5-(Chloromethyl)-3-(4-(difluoromethoxy)-3-methoxyphenyl)-1,2,4-oxadiazole,
AC1NLPWL,
AC1Q46DI,
SCHEMBL2705183,
CTK6J6974,
ZINC4205420,
MFCD06655336,
AKOS000118498,
MCULE-6448273588,
NE13356,
EN300-12544,
J-516322,
ZINC04205420,
CID4961963,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.651g/mol |
| Monoisotopic Mass | 290.027g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number