[5-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methanol - CAS 1934418-09-3
Catalog: |
BB051541 |
Product Name: |
[5-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methanol |
CAS: |
1934418-09-3 |
Synonyms: |
1H-Pyrazole-4-methanol, 5-methyl-1-(2,2,2-trifluoroethyl)- |
IUPAC Name: | [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol |
Molecular Weight: | 194.15 |
Molecular Formula: | C7H9F3N2O |
Canonical SMILES: | CC1=C(C=NN1CC(F)(F)F)CO |
InChI: | InChI=1S/C7H9F3N2O/c1-5-6(3-13)2-11-12(5)4-7(8,9)10/h2,13H,3-4H2,1H3 |
InChI Key: | BEWZPKYQBUIASF-UHFFFAOYSA-N |
Boiling Point: | 244.3±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.36±0.1 g/cm3 (Predicted) |
Complexity: | 174 |
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: | 2 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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