(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl)methanol - CAS 1216001-04-5
Catalog: |
BB050668 |
Product Name: |
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl)methanol |
CAS: |
1216001-04-5 |
Synonyms: |
1H-Pyrazole-4-methanol, 1-(2,2,2-trifluoroethyl)- |
IUPAC Name: | [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol |
Molecular Weight: | 180.13 |
Molecular Formula: | C6H7F3N2O |
Canonical SMILES: | C1=C(C=NN1CC(F)(F)F)CO |
InChI: | InChI=1S/C6H7F3N2O/c7-6(8,9)4-11-2-5(3-12)1-10-11/h1-2,12H,3-4H2 |
InChI Key: | UJYFXPDZQGCXPH-UHFFFAOYSA-N |
Boiling Point: | 229.2±40.0°C at 760 mmHg |
Purity: | ≥95% by HPLC |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.05104734 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05104734 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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