| CAS Number | 854137-68-1 |
| Catalog Number | AG00IDNO |
| Chemical Name | 5-(Chloromethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C11H11ClN2O3/c1-15-7-3-4-8(9(5-7)16-2)11-13-10(6-12)17-14-11/h3-5H,6H2,1-2H3 |
| InChI Key | PAIAKDQUXNBITM-UHFFFAOYSA-N |
| MDL Number | MFCD07312768 |
| Molecular Formula | C11H11ClN2O3 |
| Molecular Weight | 254.6696 |
| SMILES | COC1=CC(OC)=C(C2N=C(CCl)ON=2)C=C1 |
| Synonyms | 5-(chloromethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole,
854137-68-1,
AC1NLQT7,
AC1Q48ZM,
CTK6J9473,
ZINC4206836,
BBL025912,
MFCD07312768,
STL382083,
AKOS000111846,
MCULE-4052359381,
T8225,
EN300-13640,
SR-01000070791,
SR-01000070791-1,
ZINC04206836,
CID4962558,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.67g/mol |
| Monoisotopic Mass | 254.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number