| CAS Number | 221030-81-5 |
| Catalog Number | AG01AFNL(AGN-PC-00SUSJ) |
| Chemical Name | 4,5-Dibromo-2-(2,2,2-trifluoroethyl)-2,3-dihydropyridazin-3-one |
| IUPAC Name | 4,5-dibromo-2-(2,2,2-trifluoroethyl)pyridazin-3-one |
| InChI | InChI=1S/C6H3Br2F3N2O/c7-3-1-12-13(2-6(9,10)11)5(14)4(3)8/h1H,2H2 |
| InChI Key | VYDCNWDRQPFXRR-UHFFFAOYSA-N |
| MDL Number | MFCD29479643 |
| Molecular Formula | C6H3Br2F3N2O |
| Molecular Weight | 335.9040 |
| SMILES | FC(CN1C(=O)C(Br)=C(Br)C=N1)(F)F |
| Synonyms | 221030-81-5,
4,5-dibromo-2-(2,2,2-trifluoroethyl)-2,3-dihydropyridazin-3-one,
4,5-Dibromo-2-(2,2,2-trifluoroethyl)pyridazin-3(2H)-one,
SCHEMBL4183392,
VYDCNWDRQPFXRR-UHFFFAOYSA-N,
ZINC35065507,
AKOS034186875,
Z325211670,
2-(2,2,2-trifluoroethyl)-4,5-dibromo-3(2H)-pyridazinone,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.854g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.906g/mol |
| Monoisotopic Mass | 333.856g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number