3-Bromo-1-(3,3,3-trifluoropropyl)-1H-pyrazole - CAS 1876647-04-9
Catalog: |
BB051035 |
Product Name: |
3-Bromo-1-(3,3,3-trifluoropropyl)-1H-pyrazole |
CAS: |
1876647-04-9 |
Synonyms: |
1H-Pyrazole, 3-bromo-1-(3,3,3-trifluoropropyl)- |
IUPAC Name: | 3-bromo-1-(3,3,3-trifluoropropyl)pyrazole |
Molecular Weight: | 243.02 |
Molecular Formula: | C6H6BrF3N2 |
Canonical SMILES: | C1=CN(N=C1Br)CCC(F)(F)F |
InChI: | InChI=1S/C6H6BrF3N2/c7-5-1-3-12(11-5)4-2-6(8,9)10/h1,3H,2,4H2 |
InChI Key: | FEERQYPNZVUORJ-UHFFFAOYSA-N |
Boiling Point: | 216.0±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.70±0.1 g/cm3 (Predicted) |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.96665 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.96665 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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