| CAS Number | 1049730-36-0 |
| Catalog Number | AG01EL41 |
| Chemical Name | 4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole |
| IUPAC Name | 4-bromo-1-(2,2-difluoroethyl)pyrazole |
| InChI | InChI=1S/C5H5BrF2N2/c6-4-1-9-10(2-4)3-5(7)8/h1-2,5H,3H2 |
| InChI Key | NEZQCHLMQBJZIM-UHFFFAOYSA-N |
| MDL Number | MFCD12780068 |
| Molecular Formula | C5H5BrF2N2 |
| Molecular Weight | 211.0074 |
| SMILES | FC(CN1N=CC(Br)=C1)F |
| Synonyms | 4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole,
1049730-36-0,
DTXSID60704037,
ZINC38074865,
F2147-7783,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.01g/mol |
| Monoisotopic Mass | 209.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number