| CAS Number | 1909316-30-8 |
| Catalog Number | AG01B2E8 |
| Chemical Name | 3-Bromo-1-methyl-1H-pyrazol-4-amine |
| IUPAC Name | 3-bromo-1-methylpyrazol-4-amine |
| InChI | InChI=1S/C4H6BrN3/c1-8-2-3(6)4(5)7-8/h2H,6H2,1H3 |
| InChI Key | UVPMPNIVENONJA-UHFFFAOYSA-N |
| MDL Number | MFCD29907399 |
| Molecular Formula | C4H6BrN3 |
| Molecular Weight | 176.0145 |
| SMILES | NC1=CN(C)N=C1Br |
| Synonyms | 3-bromo-1-methyl-1H-pyrazol-4-amine,
1909316-30-8,
SCHEMBL18047983,
ZINC334163891,
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| Complexity | 87.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.017g/mol |
| Monoisotopic Mass | 174.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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