| CAS Number | 1884457-45-7 |
| Catalog Number | AG01DTNJ |
| Chemical Name | 4-bromo-3-(bromodifluoromethyl)-5-methyl-1H-pyrazole |
| IUPAC Name | 4-bromo-3-[bromo(difluoro)methyl]-5-methyl-1H-pyrazole |
| InChI | InChI=1S/C5H4Br2F2N2/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3,(H,10,11) |
| InChI Key | DKCUPQLMPGCCDK-UHFFFAOYSA-N |
| MDL Number | MFCD31801610 |
| Molecular Formula | C5H4Br2F2N2 |
| Molecular Weight | 289.9035 |
| SMILES | Cc1[nH]nc(c1Br)C(F)(F)Br |
| Synonyms | 4-Bromo-3-(bromodifluoromethyl)- 5-methyl-1H-pyrazole,
1884457-45-7,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.869g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.906g/mol |
| Monoisotopic Mass | 287.871g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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