| CAS Number | 727374-86-9 |
| Catalog Number | AG00ICAQ(AGN-PC-0WB5J6) |
| Chemical Name | 2-(chloromethyl)-5-(2-furyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C7H5ClN2O2/c8-4-6-9-10-7(12-6)5-2-1-3-11-5/h1-3H,4H2 |
| InChI Key | ITPFFLTUPKAJHE-UHFFFAOYSA-N |
| MDL Number | MFCD01885818 |
| Molecular Formula | C7H5ClN2O2 |
| Molecular Weight | 184.5798 |
| SMILES | C1(C2=CC=CO2)OC(=NN=1)CCl |
| Synonyms | 2-(chloromethyl)-5-(2-furyl)-1,3,4-oxadiazole,
727374-86-9,
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole,
AC1MVVU1,
AC1Q3U5S,
CTK6H7065,
DTXSID00395084,
ZINC3888141,
MFCD01885818,
AKOS000263841,
MCULE-3495228475,
AJ-47292,
EN300-10486,
W-8768,
F2147-0863,
ZINC03888141,
CID3689757,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.579g/mol |
| Monoisotopic Mass | 184.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number