1-(2,2-Difluoroethyl)-5-nitro-1H-pyrazole - CAS 1171325-18-0
Catalog: |
BB003854 |
Product Name: |
1-(2,2-Difluoroethyl)-5-nitro-1H-pyrazole |
CAS: |
1171325-18-0 |
Synonyms: |
1-(2,2-difluoroethyl)-5-nitropyrazole; 1-(2,2-difluoroethyl)-5-nitropyrazole |
IUPAC Name: | 1-(2,2-difluoroethyl)-5-nitropyrazole |
Description: | 1-(2,2-Difluoroethyl)-5-nitro-1H-pyrazole (CAS# 1171325-18-0 ) is a useful research chemical. |
Molecular Weight: | 177.11 |
Molecular Formula: | C5H5F2N3O2 |
Canonical SMILES: | C1=C(N(N=C1)CC(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C5H5F2N3O2/c6-4(7)3-9-5(10(11)12)1-2-8-9/h1-2,4H,3H2 |
InChI Key: | GQNSMAXXKJKFGY-UHFFFAOYSA-N |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.03498273 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.03498273 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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