| CAS Number | 1356543-56-0 |
| Catalog Number | AG00JG7C(AGN-PC-0WBEIX) |
| Chemical Name | 4-bromo-5-(chloromethyl)-1-methyl-1H-pyrazole |
| IUPAC Name | 4-bromo-5-(chloromethyl)-1-methylpyrazole |
| InChI | InChI=1S/C5H6BrClN2/c1-9-5(2-7)4(6)3-8-9/h3H,2H2,1H3 |
| InChI Key | LAAPPVDLHYCAQY-UHFFFAOYSA-N |
| MDL Number | MFCD24540439 |
| Molecular Formula | C5H6BrClN2 |
| Molecular Weight | 209.4715 |
| SMILES | CN1C(CCl)=C(Br)C=N1 |
| Synonyms | 4-bromo-5-(chloromethyl)-1-methyl-1H-pyrazole,
1356543-56-0,
MFCD24540439,
ZINC72339687,
AKOS015921242,
MCULE-7776082404,
4-Bromo-5-chloromethyl-1-methyl-1H-pyrazole,
|
| 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 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number