4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole-3-carbaldehyde - CAS 2054953-56-7
Catalog: |
BB051231 |
Product Name: |
4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole-3-carbaldehyde |
CAS: |
2054953-56-7 |
Synonyms: |
1H-Pyrazole-3-carboxaldehyde, 4-bromo-1-(2,2-difluoroethyl)- |
IUPAC Name: | 4-bromo-1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde |
Molecular Weight: | 239.02 |
Molecular Formula: | C6H5BrF2N2O |
Canonical SMILES: | C1=C(C(=NN1CC(F)F)C=O)Br |
InChI: | InChI=1S/C6H5BrF2N2O/c7-4-1-11(2-6(8)9)10-5(4)3-12/h1,3,6H,2H2 |
InChI Key: | OPZSNHDLIPCLSY-UHFFFAOYSA-N |
Boiling Point: | 296.9±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.81±0.1 g/cm3 (Predicted) |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.95533 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.95533 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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