1-(Difluoromethyl)-3-(methoxymethyl)-1H-pyrazole - CAS 1856099-11-0
Catalog: |
BB050866 |
Product Name: |
1-(Difluoromethyl)-3-(methoxymethyl)-1H-pyrazole |
CAS: |
1856099-11-0 |
Synonyms: |
1H-Pyrazole, 1-(difluoromethyl)-3-(methoxymethyl)- |
IUPAC Name: | 1-(difluoromethyl)-3-(methoxymethyl)pyrazole |
Molecular Weight: | 162.14 |
Molecular Formula: | C6H8F2N2O |
Canonical SMILES: | COCC1=NN(C=C1)C(F)F |
InChI: | InChI=1S/C6H8F2N2O/c1-11-4-5-2-3-10(9-5)6(7)8/h2-3,6H,4H2,1H3 |
InChI Key: | WHKTYDSDOXFTRD-UHFFFAOYSA-N |
Boiling Point: | 165.3±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.27±0.1 g/cm3 (Predicted) |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.06046921 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.06046921 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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