| CAS Number | 733044-96-7 |
| Catalog Number | AG00FC7W(AGN-PC-0WO26V) |
| Chemical Name | 2-(2-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C9H6BrClN2O/c10-7-4-2-1-3-6(7)9-13-12-8(5-11)14-9/h1-4H,5H2 |
| InChI Key | KIMSKBWHIMTWFJ-UHFFFAOYSA-N |
| MDL Number | MFCD03981004 |
| Molecular Formula | C9H6BrClN2O |
| Molecular Weight | 273.5137 |
| SMILES | C1=CC=C(C(=C1)C2=NN=C(CCl)O2)Br |
| Synonyms | 2-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole,
2-(2-Bromo-phenyl)-5-chloromethyl-[1,3,4]oxadiazole,
733044-96-7,
AC1M5ZTW,
AC1Q3U5G,
CTK6H7060,
KS-00003RK4,
ZINC3246491,
STL221573,
AKOS000118715,
MCULE-2811373114,
NE27581,
RS-0370,
EN300-05104,
J-505557,
ZINC03246491,
CID2363738,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.514g/mol |
| Monoisotopic Mass | 271.935g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number