5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole - CAS 1328640-88-5
Catalog: |
BB051990 |
Product Name: |
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole |
CAS: |
1328640-88-5 |
Synonyms: |
2,2-difluoro-1-[(1-methyl-3-nitropyrazol-5-yl)methoxy]ethane |
IUPAC Name: | 5-(2,2-difluoroethoxymethyl)-1-methyl-3-nitropyrazole |
Molecular Weight: | 221.16 |
Molecular Formula: | C7H9F2N3O3 |
Canonical SMILES: | CN1C(=CC(=N1)[N+](=O)[O-])COCC(F)F |
InChI: | InChI=1S/C7H9F2N3O3/c1-11-5(3-15-4-6(8)9)2-7(10-11)12(13)14/h2,6H,3-4H2,1H3 |
InChI Key: | MNIPGEJVEHPYLQ-UHFFFAOYSA-N |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.06119748 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.06119748 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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