1-(Difluoromethyl)-4-iodo-3-methyl-1H-pyrazole - CAS 1217862-89-9
Catalog: |
BB052059 |
Product Name: |
1-(Difluoromethyl)-4-iodo-3-methyl-1H-pyrazole |
CAS: |
1217862-89-9 |
Synonyms: |
1H-pyrazole, 1-(difluoromethyl)-4-iodo-3-methyl- |
IUPAC Name: | 1-(difluoromethyl)-4-iodo-3-methylpyrazole |
Molecular Weight: | 258.01 |
Molecular Formula: | C5H5F2IN2 |
Canonical SMILES: | CC1=NN(C=C1I)C(F)F |
InChI: | InChI=1S/C5H5F2IN2/c1-3-4(8)2-10(9-3)5(6)7/h2,5H,1H3 |
InChI Key: | QHPZQRNOUVTKIE-UHFFFAOYSA-N |
Boiling Point: | 216.8±40.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 2.1±0.1 g/cm3 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.94655 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.94655 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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