| CAS Number | 854357-49-6 |
| Catalog Number | AG019OCM(AGN-PC-0WOD02) |
| Chemical Name | 2-(1-Chloroethyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(1-chloroethyl)-5-thiophen-2-yl-1,3,4-oxadiazole |
| InChI | InChI=1S/C8H7ClN2OS/c1-5(9)7-10-11-8(12-7)6-3-2-4-13-6/h2-5H,1H3 |
| InChI Key | NJHQJNCNBUTPBF-UHFFFAOYSA-N |
| MDL Number | MFCD06655916 |
| Molecular Formula | C8H7ClN2OS |
| Molecular Weight | 214.6720 |
| SMILES | CC(C1OC(C2SC=CC=2)=NN=1)Cl |
| Synonyms | 2-(1-chloroethyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole,
854357-49-6,
2-(1-chloroethyl)-5-thien-2-yl-1,3,4-oxadiazole,
AC1NLQQ6,
AC1Q2B0I,
CTK6A6122,
AKOS001109891,
AKOS016887314,
MCULE-2845947060,
NE40159,
EN300-13540,
2-(1-chloroethyl)-5-thiophen-2-yl-1,3,4-oxadiazole,
ZINC04206708,
CID4962498,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.667g/mol |
| Monoisotopic Mass | 213.997g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number