| CAS Number | 1426958-44-2 |
| Catalog Number | AG00HWK7(AGN-PC-0WQZS0) |
| Chemical Name | N-(4,5-Dibromo-2-methylpyrazol-3-yl)acetamide |
| IUPAC Name | N-(4,5-dibromo-2-methylpyrazol-3-yl)acetamide |
| InChI | InChI=1S/C6H7Br2N3O/c1-3(12)9-6-4(7)5(8)10-11(6)2/h1-2H3,(H,9,12) |
| InChI Key | YILANIFFONMDAR-UHFFFAOYSA-N |
| MDL Number | MFCD23699504 |
| Molecular Formula | C6H7Br2N3O |
| Molecular Weight | 296.9473 |
| SMILES | Cn1nc(c(c1NC(=O)C)Br)Br |
| Synonyms | N-(4,5-DIBROMO-2-METHYLPYRAZOL-3-YL)ACETAMIDE,
1426958-44-2,
KM3881,
ZINC95217977,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.894g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.95g/mol |
| Monoisotopic Mass | 294.896g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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