| CAS Number | 1619993-43-9 |
| Catalog Number | AG01ELDV |
| Chemical Name | 3-Bromo-4-iodo-1-methyl-1H-pyrazole |
| IUPAC Name | 3-bromo-4-iodo-1-methylpyrazole |
| InChI | InChI=1S/C4H4BrIN2/c1-8-2-3(6)4(5)7-8/h2H,1H3 |
| InChI Key | FTFNNSZUIOUGPW-UHFFFAOYSA-N |
| MDL Number | MFCD31667674 |
| Molecular Formula | C4H4BrIN2 |
| Molecular Weight | 286.8964 |
| SMILES | BrC1=NN(C=C1I)C |
| Synonyms | SCHEMBL15885997,
3-bromo-4-iodo-1-methyl-1H-pyrazole,
1619993-43-9,
|
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number