| CAS Number | 76596-54-8 |
| Catalog Number | AG005B18(AGN-PC-00NGDQ) |
| Chemical Name | 2-Bromo-1-(3-bromo-5-isoxazolyl)ethanone |
| IUPAC Name | 2-bromo-1-(3-bromo-1,2-oxazol-5-yl)ethanone |
| InChI | InChI=1S/C5H3Br2NO2/c6-2-3(9)4-1-5(7)8-10-4/h1H,2H2 |
| InChI Key | ZIEZUMAWBZSIDK-UHFFFAOYSA-N |
| MDL Number | MFCD30593065 |
| Molecular Formula | C5H3Br2NO2 |
| Molecular Weight | 268.8908 |
| SMILES | BrCC(C1ON=C(Br)C=1)=O |
| Synonyms | 76596-54-8,
2-bromo-1-(3-bromoisoxazol-5-yl)ethanone,
AKOS030598730,
2-Bromo-1-(3-bromo-1,2-oxazol-5-yl)ethan-1-one,
3-Bromo-5-(bromoacetyl)isoxazole,
Ethanone, 2-bromo-1-(3-bromo-5-isoxazolyl)-,
5-bromoacetyl-3-bromoisoxazole,
SCHEMBL6074169,
CTK2G7538,
DTXSID60545341,
ZIEZUMAWBZSIDK-UHFFFAOYSA-N,
ZINC34109509,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.851g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.892g/mol |
| Monoisotopic Mass | 266.853g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number