| CAS Number | 1256562-11-4 |
| Catalog Number | AG01AUGR |
| Chemical Name | 3-(Bromomethyl)-4-chloro-1-methyl-1H-pyrazole |
| IUPAC Name | 3-(bromomethyl)-4-chloro-1-methylpyrazole |
| InChI | InChI=1S/C5H6BrClN2/c1-9-3-4(7)5(2-6)8-9/h3H,2H2,1H3 |
| InChI Key | SCCZEUVSDLRHJW-UHFFFAOYSA-N |
| MDL Number | MFCD24465265 |
| Molecular Formula | C5H6BrClN2 |
| Molecular Weight | 209.4715 |
| SMILES | CN1N=C(CBr)C(Cl)=C1 |
| Synonyms | 3-(bromomethyl)-4-chloro-1-methyl-1H-pyrazole,
1256562-11-4,
SCHEMBL859913,
SCCZEUVSDLRHJW-UHFFFAOYSA-N,
ZINC114722641,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.471g/mol |
| Monoisotopic Mass | 207.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number