| CAS Number | 121562-10-5 |
| Catalog Number | AG009YON |
| Chemical Name | 5-Benzyl-3-bromo-1,2,4-oxadiazole |
| IUPAC Name | 5-benzyl-3-bromo-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H7BrN2O/c10-9-11-8(13-12-9)6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChI Key | GVHVZTQUDZUSPB-UHFFFAOYSA-N |
| MDL Number | MFCD25949303 |
| Molecular Formula | C9H7BrN2O |
| Molecular Weight | 239.0687 |
| SMILES | BrC1=NOC(CC2=CC=CC=C2)=N1 |
| Synonyms | 5-benzyl-3-bromo-1,2,4-oxadiazole,
121562-10-5,
GVHVZTQUDZUSPB-UHFFFAOYSA-,
FD6015,
MFCD25949303,
ZINC95098292,
AKOS027254019,
5-benzyl-3-bromo-[1,2,4]oxadiazole,
AS-49265,
X-1475,
InChI=1/C9H7BrN2O/c10-9-11-8(13-12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.072g/mol |
| Monoisotopic Mass | 237.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number