[3-(Difluoromethyl)-1-ethyl-1H-pyrazol-4-yl]methanol - CAS 1946828-46-1
Catalog: |
BB050999 |
Product Name: |
[3-(Difluoromethyl)-1-ethyl-1H-pyrazol-4-yl]methanol |
CAS: |
1946828-46-1 |
Synonyms: |
1H-Pyrazole-4-methanol, 3-(difluoromethyl)-1-ethyl- |
IUPAC Name: | [3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol |
Molecular Weight: | 176.16 |
Molecular Formula: | C7H10F2N2O |
Canonical SMILES: | CCN1C=C(C(=N1)C(F)F)CO |
InChI: | InChI=1S/C7H10F2N2O/c1-2-11-3-5(4-12)6(10-11)7(8)9/h3,7,12H,2,4H2,1H3 |
InChI Key: | CTZUHXJSVBOPRY-UHFFFAOYSA-N |
Boiling Point: | 271.0±35.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.31±0.1 g/cm3 (Predicted) |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.07611927 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.07611927 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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