| CAS Number | 870694-29-4 |
| Catalog Number | AG01B8O7(AGN-PC-0OKSSC) |
| Chemical Name | 2-Bromo-1-(5-bromopyridin-2-yl)ethan-1-one hydrobromide |
| IUPAC Name | 2-bromo-1-(5-bromopyridin-2-yl)ethanone;hydrobromide |
| InChI | InChI=1S/C7H5Br2NO.BrH/c8-3-7(11)6-2-1-5(9)4-10-6;/h1-2,4H,3H2;1H |
| InChI Key | CCQZGWCJOFPBJJ-UHFFFAOYSA-N |
| MDL Number | MFCD26395631 |
| Molecular Formula | C7H6Br3NO |
| Molecular Weight | 359.8406 |
| SMILES | Br.BrCC(C1=NC=C(Br)C=C1)=O |
| Synonyms | 2-bromo-1-(5-bromopyridin-2-yl)ethan-1-one hydrobromide,
870694-29-4,
2-Bromo-1-(5-bromopyridin-2-yl)ethanone hydrobromide,
SCHEMBL4892809,
CCQZGWCJOFPBJJ-UHFFFAOYSA-N,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.798g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.843g/mol |
| Monoisotopic Mass | 356.8g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number