1-(2,2-Difluoroethyl)-3-iodo-5-nitro-1H-pyrazole - CAS 2171316-82-6
Catalog: |
BB051387 |
Product Name: |
1-(2,2-Difluoroethyl)-3-iodo-5-nitro-1H-pyrazole |
CAS: |
2171316-82-6 |
Synonyms: |
1H-Pyrazole, 1-(2,2-difluoroethyl)-3-iodo-5-nitro- |
IUPAC Name: | 1-(2,2-difluoroethyl)-3-iodo-5-nitropyrazole |
Molecular Weight: | 303.01 |
Molecular Formula: | C5H4F2IN3O2 |
Canonical SMILES: | C1=C(N(N=C1I)CC(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C5H4F2IN3O2/c6-3(7)2-10-5(11(12)13)1-4(8)9-10/h1,3H,2H2 |
InChI Key: | LALYGSTXMJASOP-UHFFFAOYSA-N |
Boiling Point: | 344.3±42.0°C (Predicted) |
Purity: | ≥95% |
Density: | 2.35±0.1 g/cm3 (Predicted) |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.93163 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.93163 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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