3-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole - CAS 1849251-81-5
Catalog: |
BB051034 |
Product Name: |
3-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole |
CAS: |
1849251-81-5 |
Synonyms: |
1H-Pyrazole, 3-bromo-1-(2,2-difluoroethyl)- |
IUPAC Name: | 3-bromo-1-(2,2-difluoroethyl)pyrazole |
Molecular Weight: | 211.01 |
Molecular Formula: | C5H5BrF2N2 |
Canonical SMILES: | C1=CN(N=C1Br)CC(F)F |
InChI: | InChI=1S/C5H5BrF2N2/c6-4-1-2-10(9-4)3-5(7)8/h1-2,5H,3H2 |
InChI Key: | IDEHKHIQJWCCGA-UHFFFAOYSA-N |
Boiling Point: | 225.6±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.78±0.1 g/cm3 (Predicted) |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.96042 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.96042 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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