| CAS Number | 1506667-04-4 |
| Catalog Number | AG01EL3U |
| Chemical Name | 4-Bromo-1-isopropyl-5-methyl-1H-pyrazole |
| IUPAC Name | 4-bromo-5-methyl-1-propan-2-ylpyrazole |
| InChI | InChI=1S/C7H11BrN2/c1-5(2)10-6(3)7(8)4-9-10/h4-5H,1-3H3 |
| InChI Key | ODWXMADXDUAWSO-UHFFFAOYSA-N |
| MDL Number | MFCD26938377 |
| Molecular Formula | C7H11BrN2 |
| Molecular Weight | 203.0796 |
| SMILES | BrC=1C=NN(C1C)C(C)C |
| Synonyms | 4-bromo-1-isopropyl-5-methyl-1H-pyrazole,
1506667-04-4,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.083g/mol |
| Monoisotopic Mass | 202.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number