1-Ethyl-4-iodo-3-methyl-1H-pyrazole - CAS 1217862-79-7
Catalog: |
BB052044 |
Product Name: |
1-Ethyl-4-iodo-3-methyl-1H-pyrazole |
CAS: |
1217862-79-7 |
Synonyms: |
1H-pyrazole, 1-ethyl-4-iodo-3-methyl- |
IUPAC Name: | 1-ethyl-4-iodo-3-methylpyrazole |
Molecular Weight: | 236.05 |
Molecular Formula: | C6H9IN2 |
Canonical SMILES: | CCN1C=C(C(=N1)C)I |
InChI: | InChI=1S/C6H9IN2/c1-3-9-4-6(7)5(2)8-9/h4H,3H2,1-2H3 |
InChI Key: | UWTOBMGFDSKNSY-UHFFFAOYSA-N |
Boiling Point: | 250.6±20.0 °C at 760 mmHg |
Density: | 1.8±0.1 g/cm3 |
Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.98105 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.98105 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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