2-Fluoro-6-methoxyphenylboronic Acid - CAS 78495-63-3
Catalog: |
BB036179 |
Product Name: |
2-Fluoro-6-methoxyphenylboronic Acid |
CAS: |
78495-63-3 |
Synonyms: |
(2-fluoro-6-methoxyphenyl)boronic acid; (2-fluoro-6-methoxyphenyl)boronic acid |
IUPAC Name: | (2-fluoro-6-methoxyphenyl)boronic acid |
Description: | Reactant for: Preparation of functionally selective allosteric modulators of GABAA receptors; Suzuki cross-coupling reaction; Preparation of inhibitors of the checkpoint kinase Wee1. |
Molecular Weight: | 169.95 |
Molecular Formula: | C7H8FO3B |
Canonical SMILES: | B(C1=C(C=CC=C1F)OC)(O)O |
InChI: | InChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,10-11H,1H3 |
InChI Key: | XOVMDVZAWWQSDC-UHFFFAOYSA-N |
Boiling Point: | 303.1 °C at 760 mmHg |
Melting Point: | 120-125 °C (lit.) |
Purity: | ≥ 95 % |
Density: | 1.26 g/cm3 |
MDL: | MFCD02179483 |
LogP: | -0.48590 |
GHS Hazard Statement: | H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0550524 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0550524 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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