1-Methyl-3-(trifluoromethyl)-4-pyrazoleboronic Acid - CAS 1138450-30-2
Catalog: |
BB003274 |
Product Name: |
1-Methyl-3-(trifluoromethyl)-4-pyrazoleboronic Acid |
CAS: |
1138450-30-2 |
Synonyms: |
[1-methyl-3-(trifluoromethyl)-4-pyrazolyl]boronic acid; [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]boronic acid |
IUPAC Name: | [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]boronic acid |
Description: | 1-Methyl-3-(trifluoromethyl)-4-pyrazoleboronic Acid (CAS# 1138450-30-2) is a useful research chemical. |
Molecular Weight: | 193.92 |
Molecular Formula: | C5H6F3N2O2B |
Canonical SMILES: | B(C1=CN(N=C1C(F)(F)F)C)(O)O |
InChI: | InChI=1S/C5H6BF3N2O2/c1-11-2-3(6(12)13)4(10-11)5(7,8)9/h2,12-13H,1H3 |
InChI Key: | CVTMJOHFLLGAIA-UHFFFAOYSA-N |
LogP: | -0.88130 |
Publication Number | Title | Priority Date |
US-2020290998-A1 | Novel imidazole-pyrazole derivatives | 20190308 |
WO-2020182648-A1 | Novel imidazole-pyrazole derivatives | 20190308 |
TW-202100522-A | Novel imidazole-pyrazole derivatives | 20190308 |
WO-2019244049-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
AU-2019291490-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0474421 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0474421 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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