1-(2,2-Difluoroethyl)-4-nitro-1H-pyrazole - CAS 1006442-51-8
Catalog: |
BB047417 |
Product Name: |
1-(2,2-Difluoroethyl)-4-nitro-1H-pyrazole |
CAS: |
1006442-51-8 |
Synonyms: |
1H-Pyrazole, 1-(2,2-difluoroethyl)-4-nitro- |
IUPAC Name: | 1-(2,2-difluoroethyl)-4-nitropyrazole |
Description: | 1-(2,2-Difluoroethyl)-4-nitro-1H-pyrazole (CAS# 1006442-51-8 ) is a useful research chemical. |
Molecular Weight: | 177.11 |
Molecular Formula: | C5H5F2N3O2 |
Canonical SMILES: | C1=C(C=NN1CC(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C5H5F2N3O2/c6-5(7)3-9-2-4(1-8-9)10(11)12/h1-2,5H,3H2 |
InChI Key: | QMQIIEPTRYGDHE-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: | 0.8 |
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