| CAS Number | 2090477-79-3 |
| Catalog Number | AG01BRSN |
| Chemical Name | 4-bromo-3-(chloromethyl)-1,5-dimethyl-1H-pyrazole |
| IUPAC Name | 4-bromo-3-(chloromethyl)-1,5-dimethylpyrazole |
| InChI | InChI=1S/C6H8BrClN2/c1-4-6(7)5(3-8)9-10(4)2/h3H2,1-2H3 |
| InChI Key | QJJCLVQVAKBNOE-UHFFFAOYSA-N |
| MDL Number | MFCD31629340 |
| Molecular Formula | C6H8BrClN2 |
| Molecular Weight | 223.4981 |
| SMILES | CC1N(C)N=C(CCl)C=1Br |
| Synonyms | 4-bromo-3-(chloromethyl)-1,5-dimethyl-1H-pyrazole,
2090477-79-3,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.498g/mol |
| Monoisotopic Mass | 221.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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