4-Chloro-3-iodo-1-methyl-1H-pyrazole - CAS 1522902-68-6
Catalog: |
BB051357 |
Product Name: |
4-Chloro-3-iodo-1-methyl-1H-pyrazole |
CAS: |
1522902-68-6 |
Synonyms: |
1H-Pyrazole, 4-chloro-3-iodo-1-methyl- |
IUPAC Name: | 4-chloro-3-iodo-1-methylpyrazole |
Molecular Weight: | 242.45 |
Molecular Formula: | C4H4ClIN2 |
Canonical SMILES: | CN1C=C(C(=N1)I)Cl |
InChI: | InChI=1S/C4H4ClIN2/c1-8-2-3(5)4(6)7-8/h2H,1H3 |
InChI Key: | CRIXGBBCBWNMDI-UHFFFAOYSA-N |
Boiling Point: | 270.0±20.0°C (Predicted) |
Purity: | ≥95% |
Density: | 2.21±0.1 g/cm3 (Predicted) |
Complexity: | 90.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.91077 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.91077 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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