| CAS Number | 1006538-98-2 |
| Catalog Number | AG019U2E(AGN-PC-0WOCRU) |
| Chemical Name | 4-bromo-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole |
| IUPAC Name | 4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole |
| InChI | InChI=1S/C11H8BrF3N2/c12-10-5-16-17(7-10)6-8-2-1-3-9(4-8)11(13,14)15/h1-5,7H,6H2 |
| InChI Key | DWOQMKZOPXCXIW-UHFFFAOYSA-N |
| MDL Number | MFCD02828766 |
| Molecular Formula | C11H8BrF3N2 |
| Molecular Weight | 305.0938 |
| SMILES | FC(C1=CC(CN2N=CC(Br)=C2)=CC=C1)(F)F |
| Synonyms | 4-bromo-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole,
1006538-98-2,
ZINC38074875,
AKOS005818522,
MCULE-6247734655,
NE30872,
Z839707088,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.098g/mol |
| Monoisotopic Mass | 303.982g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number