(1-(Difluoromethyl)-1H-pyrazol-4-yl)methanol - CAS 2098020-65-4
Catalog: |
BB051567 |
Product Name: |
(1-(Difluoromethyl)-1H-pyrazol-4-yl)methanol |
CAS: |
2098020-65-4 |
Synonyms: |
1H-Pyrazole-4-methanol, 1-(difluoromethyl)- |
IUPAC Name: | [1-(difluoromethyl)pyrazol-4-yl]methanol |
Molecular Weight: | 148.11 |
Molecular Formula: | C5H6F2N2O |
Canonical SMILES: | C1=C(C=NN1C(F)F)CO |
InChI: | InChI=1S/C5H6F2N2O/c6-5(7)9-2-4(3-10)1-8-9/h1-2,5,10H,3H2 |
InChI Key: | NKYVZIQSGUNTML-UHFFFAOYSA-N |
Boiling Point: | 216.3±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.43±0.1 g/cm3 (Predicted) |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.04481914 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.04481914 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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