| CAS Number | 1936710-01-8 |
| Catalog Number | AG01B715 |
| Chemical Name | 3-bromo-4-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 5-bromo-4-(trifluoromethyl)-1H-pyrazole |
| InChI | InChI=1S/C4H2BrF3N2/c5-3-2(1-9-10-3)4(6,7)8/h1H,(H,9,10) |
| InChI Key | LURICFKQKMFTLN-UHFFFAOYSA-N |
| MDL Number | MFCD26518978 |
| Molecular Formula | C4H2BrF3N2 |
| Molecular Weight | 214.9713 |
| SMILES | FC(C1C(Br)=NNC=1)(F)F |
| Synonyms | 3-bromo-4-(trifluoromethyl)-1H-pyrazole,
1936710-01-8,
AKOS024165183,
ZINC221655726,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.973g/mol |
| Monoisotopic Mass | 213.935g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number