5-Iodo-1-methyl-1H-pyrazole-4-sulfonyl chloride - CAS 1855907-05-9
Catalog: |
BB050924 |
Product Name: |
5-Iodo-1-methyl-1H-pyrazole-4-sulfonyl chloride |
CAS: |
1855907-05-9 |
Synonyms: |
1H-Pyrazole-4-sulfonyl chloride, 5-iodo-1-methyl- |
IUPAC Name: | 5-iodo-1-methylpyrazole-4-sulfonyl chloride |
Molecular Weight: | 306.51 |
Molecular Formula: | C4H4ClIN2O2S |
Canonical SMILES: | CN1C(=C(C=N1)S(=O)(=O)Cl)I |
InChI: | InChI=1S/C4H4ClIN2O2S/c1-8-4(6)3(2-7-8)11(5,9)10/h2H,1H3 |
InChI Key: | HJAADXPCNFUOLH-UHFFFAOYSA-N |
Boiling Point: | 370.5±27.0°C (Predicted) |
Purity: | ≥95% |
Density: | 2.35±0.1 g/cm3 (Predicted) |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.87267 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.87267 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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