5-Fluoro-2-methylphenylboronic Acid - CAS 163517-62-2
Catalog: |
BB012007 |
Product Name: |
5-Fluoro-2-methylphenylboronic Acid |
CAS: |
163517-62-2 |
Synonyms: |
(5-fluoro-2-methylphenyl)boronic acid; (5-fluoro-2-methylphenyl)boronic acid |
IUPAC Name: | (5-fluoro-2-methylphenyl)boronic acid |
Description: | Reactant for: Monoarylation of dibromoarenes catalyzed by palladium-phosphine in the presence of potassium carbonate; Preparation of homoleptic diarylmercurials; Suzuki-Miyaura coupling. |
Molecular Weight: | 153.95 |
Molecular Formula: | C7H8FO2B |
Canonical SMILES: | B(C1=C(C=CC(=C1)F)C)(O)O |
InChI: | InChI=1S/C7H8BFO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,10-11H,1H3 |
InChI Key: | QKOJLMKWBRBZNQ-UHFFFAOYSA-N |
Boiling Point: | 287.7 ℃ at 760 mmHg |
Melting Point: | 144-148 ℃ (lit.) |
Density: | 1.2 g/cm3 |
MDL: | MFCD03095047 |
LogP: | -0.18610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021119254-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20191210 |
CN-112574224-A | KRAS G12C inhibitor and application thereof | 20190930 |
WO-2021063346-A1 | Kras g12c inhibitor and application thereof | 20190930 |
WO-2020161623-A1 | N-(pyridin-2-yl)pyridine-sulfonamide derivatives and their use in the treatment of disease | 20190206 |
CN-113423702-A | N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use in the treatment of disease | 20190206 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0601378 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0601378 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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