| CAS Number | 1256962-73-8 |
| Catalog Number | AG01DH9I |
| Chemical Name | 4-Bromo-5-iso-propyl-3-(trifluoromethyl)-1H-Pyrazole |
| IUPAC Name | 4-bromo-5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole |
| InChI | InChI=1S/C7H8BrF3N2/c1-3(2)5-4(8)6(13-12-5)7(9,10)11/h3H,1-2H3,(H,12,13) |
| InChI Key | MVMBRPNKIMFBEZ-UHFFFAOYSA-N |
| MDL Number | MFCD29090629 |
| Molecular Formula | C7H8BrF3N2 |
| Molecular Weight | 257.0510 |
| SMILES | CC(C)c1[nH]nc(c1Br)C(F)(F)F |
| Synonyms | 4-Bromo-5-iso-propyl-3-(trifluoromethyl)-1H-Pyrazole,
1256962-73-8,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.054g/mol |
| Monoisotopic Mass | 255.982g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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