[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol - CAS 1946823-77-3
Catalog: |
BB050998 |
Product Name: |
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol |
CAS: |
1946823-77-3 |
Synonyms: |
1H-Pyrazole-5-methanol, 1,4-dimethyl-3-(trifluoromethyl)- |
IUPAC Name: | [2,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol |
Molecular Weight: | 194.15 |
Molecular Formula: | C7H9F3N2O |
Canonical SMILES: | CC1=C(N(N=C1C(F)(F)F)C)CO |
InChI: | InChI=1S/C7H9F3N2O/c1-4-5(3-13)12(2)11-6(4)7(8,9)10/h13H,3H2,1-2H3 |
InChI Key: | GAHDWDQMFLIMBW-UHFFFAOYSA-N |
Boiling Point: | 243.6±35.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.36±0.1 g/cm3 (Predicted) |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0666974 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0666974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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