| CAS Number | 1311569-68-2 |
| Catalog Number | AG01B1MM(AGN-PC-0WOTNV) |
| Chemical Name | 2-Bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(1,3-dimethylpyrazol-4-yl)ethanone |
| InChI | InChI=1S/C7H9BrN2O/c1-5-6(7(11)3-8)4-10(2)9-5/h4H,3H2,1-2H3 |
| InChI Key | ZWFRPARVZXQLOV-UHFFFAOYSA-N |
| MDL Number | MFCD28133095 |
| Molecular Formula | C7H9BrN2O |
| Molecular Weight | 217.0632 |
| SMILES | O=C(C1=CN(C)N=C1C)CBr |
| Synonyms | 2-bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-one,
1311569-68-2,
SCHEMBL13306677,
ZINC62152017,
AKOS026743268,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.98983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.06g/mol |
| Monoisotopic Mass | 215.98983g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number