| CAS Number | 796106-49-5 |
| Catalog Number | AG00ID28(AGN-PC-0WOVMU) |
| Chemical Name | 2-(chloromethyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(chloromethyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C9H9ClN2O2/c1-5-3-7(6(2)13-5)9-12-11-8(4-10)14-9/h3H,4H2,1-2H3 |
| InChI Key | FABWAGDIYMEXOV-UHFFFAOYSA-N |
| MDL Number | MFCD06372760 |
| Molecular Formula | C9H9ClN2O2 |
| Molecular Weight | 212.6330 |
| SMILES | CC1OC(C)=C(C2OC(CCl)=NN=2)C=1 |
| Synonyms | 2-(chloromethyl)-5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazole,
2-(chloromethyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole,
796106-49-5,
AC1NLPGO,
AC1Q2GT0,
CTK6H7018,
ZINC4204719,
MFCD06372760,
AKOS000263191,
MCULE-6556201234,
NE43660,
EN300-11649,
ZINC04204719,
CID4961667,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.633g/mol |
| Monoisotopic Mass | 212.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number