| CAS Number | 2138196-27-5 |
| Catalog Number | AG01ELBP |
| Chemical Name | 4-Bromo-5-iodo-1-methyl-1H-pyrazole |
| IUPAC Name | 4-bromo-5-iodo-1-methylpyrazole |
| InChI | InChI=1S/C4H4BrIN2/c1-8-4(6)3(5)2-7-8/h2H,1H3 |
| InChI Key | CBDGEVUWTIOTOH-UHFFFAOYSA-N |
| MDL Number | MFCD30615838 |
| Molecular Formula | C4H4BrIN2 |
| Molecular Weight | 286.8964 |
| SMILES | n1cc(c(n1C)I)Br |
| Synonyms | SCHEMBL17624319,
4-bromo-5-iodo-1-methyl-1H-pyrazole,
2138196-27-5,
|
| Complexity | 90.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.86g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.898g/mol |
| Monoisotopic Mass | 285.86g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number