2-[3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethanol - CAS 1946828-53-0
Catalog: |
BB051050 |
Product Name: |
2-[3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethanol |
CAS: |
1946828-53-0 |
Synonyms: |
1H-Pyrazole-1-ethanol, 3-(difluoromethyl)-5-methyl- |
IUPAC Name: | 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]ethanol |
Molecular Weight: | 176.16 |
Molecular Formula: | C7H10F2N2O |
Canonical SMILES: | CC1=CC(=NN1CCO)C(F)F |
InChI: | InChI=1S/C7H10F2N2O/c1-5-4-6(7(8)9)10-11(5)2-3-12/h4,7,12H,2-3H2,1H3 |
InChI Key: | ZBOBWCPHTZIWNJ-UHFFFAOYSA-N |
Boiling Point: | 268.3±40.0°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: | 0.5 |
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