| CAS Number | 1785538-05-7 |
| Catalog Number | AG00J2TG(AGN-PC-0WRAQX) |
| Chemical Name | 3-Bromo-5-chloro-1-methyl-1H-pyrazole |
| IUPAC Name | 3-bromo-5-chloro-1-methylpyrazole |
| InChI | InChI=1S/C4H4BrClN2/c1-8-4(6)2-3(5)7-8/h2H,1H3 |
| InChI Key | ZHRZVUUIAZZQRD-UHFFFAOYSA-N |
| MDL Number | MFCD22395740 |
| Molecular Formula | C4H4BrClN2 |
| Molecular Weight | 195.4450 |
| SMILES | Brc1nn(c(c1)Cl)C |
| Synonyms | 3-Bromo-5-chloro-1-methyl-1H-pyrazole,
1785538-05-7,
5-chloro(bromo)-1-methylpyrazole,
MFCD22395740,
ZINC213898550,
N/A,
|
| Complexity | 90.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.444g/mol |
| Monoisotopic Mass | 193.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number