| CAS Number | 359794-51-7 |
| Catalog Number | AG00CLND(AGN-PC-0WG433) |
| Chemical Name | 2-Bromo-1-(6-chloropyridazin-3-yl)ethanone |
| IUPAC Name | 2-bromo-1-(6-chloropyridazin-3-yl)ethanone |
| InChI | InChI=1S/C6H4BrClN2O/c7-3-5(11)4-1-2-6(8)10-9-4/h1-2H,3H2 |
| InChI Key | NJUDUAHNKPDSCV-UHFFFAOYSA-N |
| MDL Number | MFCD28359757 |
| Molecular Formula | C6H4BrClN2O |
| Molecular Weight | 235.4658 |
| SMILES | ClC1=NN=C(C(CBr)=O)C=C1 |
| Synonyms | 2-bromo-1-(6-chloropyridazin-3-yl)ethanone,
359794-51-7,
SCHEMBL2561944,
NJUDUAHNKPDSCV-UHFFFAOYSA-N,
MFCD28359757,
AKOS025148690,
ZINC138877323,
FT-0713589,
2-bromo-1-(6-chloropyridazin-3-yl)ethan-1-one,
Ethanone, 2-bromo-1-(6-chloro-3-pyridazinyl)-,
2-bromo-1-(6-chloro-3-pyridazinyl)Ethanone,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.465g/mol |
| Monoisotopic Mass | 233.92g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number