4-Iodo-5-(methoxymethyl)-1-methyl-1H-pyrazole - CAS 1856059-59-0
Catalog: |
BB050871 |
Product Name: |
4-Iodo-5-(methoxymethyl)-1-methyl-1H-pyrazole |
CAS: |
1856059-59-0 |
Synonyms: |
1H-Pyrazole, 4-iodo-5-(methoxymethyl)-1-methyl- |
IUPAC Name: | 4-iodo-5-(methoxymethyl)-1-methylpyrazole |
Molecular Weight: | 252.05 |
Molecular Formula: | C6H9IN2O |
Canonical SMILES: | CN1C(=C(C=N1)I)COC |
InChI: | InChI=1S/C6H9IN2O/c1-9-6(4-10-2)5(7)3-8-9/h3H,4H2,1-2H3 |
InChI Key: | MPJJWZDFKQWXFJ-UHFFFAOYSA-N |
Boiling Point: | 271.7±25.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.82±0.1 g/cm3 (Predicted) |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.97596 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.97596 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 27 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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