B-[1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl]boronic Acid - CAS 1263196-50-4
Catalog: |
BB057544 |
Product Name: |
B-[1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl]boronic Acid |
CAS: |
1263196-50-4 |
Synonyms: |
(1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)boronic acid; [1-(oxan-4-yl)pyrazol-4-yl]boronic acid; B-[1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl]boronic Acid; 1-(4-Tetrahydropyranyl)-1H-pyrazole-4-boronic Acid |
IUPAC Name: | [1-(oxan-4-yl)pyrazol-4-yl]boronic acid |
Description: | B-[1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl]boronic Acid is used in the preparation of ALK receptor mediators. |
Molecular Weight: | 196.01 |
Molecular Formula: | C8H13BN2O3 |
Canonical SMILES: | B(C1=CN(N=C1)C2CCOCC2)(O)O |
InChI: | InChI=1S/C8H13BN2O3/c12-9(13)7-5-10-11(6-7)8-1-3-14-4-2-8/h5-6,8,12-13H,1-4H2 |
InChI Key: | WHGNHCWTWYXXJI-UHFFFAOYSA-N |
Melting Point: | 72-76°C |
Solubility: | DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | Hygroscopic, Refrigerator, under inert atmosphere |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.1019224 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.1019224 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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