4-Iodo-3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole - CAS 1221439-91-3
Catalog: |
BB051530 |
Product Name: |
4-Iodo-3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole |
CAS: |
1221439-91-3 |
Synonyms: |
1H-Pyrazole, 4-iodo-3,5-dimethyl-1-(2,2,2-trifluoroethyl)- |
IUPAC Name: | 4-iodo-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole |
Molecular Weight: | 304.05 |
Molecular Formula: | C7H8F3IN2 |
Canonical SMILES: | CC1=C(C(=NN1CC(F)(F)F)C)I |
InChI: | InChI=1S/C7H8F3IN2/c1-4-6(11)5(2)13(12-4)3-7(8,9)10/h3H2,1-2H3 |
InChI Key: | KFESYPLQCOWEEY-UHFFFAOYSA-N |
Boiling Point: | 247.0±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.87±0.1 g/cm3 (Predicted) |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.96843 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.96843 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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