| CAS Number | 1426958-33-9 |
| Catalog Number | AG00HWK4(AGN-PC-0WBK1V) |
| Chemical Name | 4-Bromo-1-isopropyl-3-(trifluoromethyl)pyrazole |
| IUPAC Name | 4-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C7H8BrF3N2/c1-4(2)13-3-5(8)6(12-13)7(9,10)11/h3-4H,1-2H3 |
| InChI Key | YMAUWASQWVXKPE-UHFFFAOYSA-N |
| MDL Number | MFCD23699500 |
| Molecular Formula | C7H8BrF3N2 |
| Molecular Weight | 257.0510 |
| SMILES | Brc1cn(nc1C(F)(F)F)C(C)C |
| Synonyms | 4-BROMO-1-ISOPROPYL-3-(TRIFLUOROMETHYL)PYRAZOLE,
1426958-33-9,
SCHEMBL15723801,
KM3837,
MFCD23699500,
ZINC95217964,
AKOS026673371,
V3214,
4-Bromo-1-isopropyl-3-(trifluoromethyl)-1H-pyrazole,
C7H8BrF3N2,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.054g/mol |
| Monoisotopic Mass | 255.982g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number