| CAS Number | 89607-14-7 |
| Catalog Number | AG003XIY(AGN-PC-00LC6F) |
| Chemical Name | 3,4-Dibromo-1-methylpyrazole |
| IUPAC Name | 3,4-dibromo-1-methylpyrazole |
| InChI | InChI=1S/C4H4Br2N2/c1-8-2-3(5)4(6)7-8/h2H,1H3 |
| InChI Key | DIFVKLRTMZFVBS-UHFFFAOYSA-N |
| MDL Number | MFCD28126787 |
| Molecular Formula | C4H4Br2N2 |
| Molecular Weight | 239.8960 |
| SMILES | Cn1nc(c(c1)Br)Br |
| Synonyms | 3,4-Dibromo-1-methyl-pyrazole,
89607-14-7,
1H-Pyrazole, 3,4-dibromo-1-methyl-,
3,4-Dibromo-1-methyl-1H-pyrazole,
ACMC-20lo81,
3,4-dibromo-1-methylpyrazole,
SCHEMBL19039335,
CTK2J3277,
DTXSID40525707,
ZINC39416416,
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| Complexity | 88.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.872g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.898g/mol |
| Monoisotopic Mass | 237.874g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number