1-(2,2-Difluoroethyl)-5-methyl-3-nitro-1H-pyrazole - CAS 1171611-51-0
Catalog: |
BB047804 |
Product Name: |
1-(2,2-Difluoroethyl)-5-methyl-3-nitro-1H-pyrazole |
CAS: |
1171611-51-0 |
Synonyms: |
1-(2,2-difluoroethyl)-5-methyl-3-nitro-1H-pyrazole |
IUPAC Name: | 1-(2,2-difluoroethyl)-5-methyl-3-nitropyrazole |
Description: | 1-(2,2-Difluoroethyl)-5-methyl-3-nitro-1H-pyrazole (CAS# 1171611-51-0 ) is a useful research chemical. |
Molecular Weight: | 191.14 |
Molecular Formula: | C6H7F2N3O2 |
Canonical SMILES: | CC1=CC(=NN1CC(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C6H7F2N3O2/c1-4-2-6(11(12)13)9-10(4)3-5(7)8/h2,5H,3H2,1H3 |
InChI Key: | CVNBVVNDUYPAHH-UHFFFAOYSA-N |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.0506328 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.0506328 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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