| CAS Number | 848658-82-2 |
| Catalog Number | AG019M1G(AGN-PC-0WO43A) |
| Chemical Name | 2-(5-Bromothiophen-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(5-bromothiophen-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C7H4BrClN2OS/c8-5-2-1-4(13-5)7-11-10-6(3-9)12-7/h1-2H,3H2 |
| InChI Key | KSHMYYGVWCHTTB-UHFFFAOYSA-N |
| MDL Number | MFCD01885827 |
| Molecular Formula | C7H4BrClN2OS |
| Molecular Weight | 279.5415 |
| SMILES | ClCC1OC(C2SC(Br)=CC=2)=NN=1 |
| Synonyms | 2-(5-bromothiophen-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole,
848658-82-2,
2-(5-bromothien-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole,
AC1NLR6V,
AC1Q3U5P,
CTK6H7043,
ZINC4207317,
AKOS000118341,
EN300-14085,
F8880-7219,
ZINC04207317,
CID4962816,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.892g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.536g/mol |
| Monoisotopic Mass | 277.892g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number