3-Fluoro-4-(methoxycarbonyl)benzeneboronic Acid - CAS 505083-04-5
Catalog: |
BB027086 |
Product Name: |
3-Fluoro-4-(methoxycarbonyl)benzeneboronic Acid |
CAS: |
505083-04-5 |
Synonyms: |
(3-fluoro-4-methoxycarbonylphenyl)boronic acid; (3-fluoro-4-methoxycarbonylphenyl)boronic acid |
IUPAC Name: | (3-fluoro-4-methoxycarbonylphenyl)boronic acid |
Description: | 3-Fluoro-4-(methoxycarbonyl)benzeneboronic Acid (CAS# 505083-04-5) is a useful research chemical. |
Molecular Weight: | 197.96 |
Molecular Formula: | C8H8FO4B |
Canonical SMILES: | B(C1=CC(=C(C=C1)C(=O)OC)F)(O)O |
InChI: | InChI=1S/C8H8BFO4/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,12-13H,1H3 |
InChI Key: | YZYGXFXSMDUXJT-UHFFFAOYSA-N |
Boiling Point: | 195.3 °C at 760 mmHg |
Density: | 1.4 g/cm3 |
Appearance: | White powder |
MDL: | MFCD04115665 |
LogP: | -0.70790 |
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-2021203023-A1 | Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
WO-2021127166-A1 | Inhibitors of enl/af9 yeats | 20191217 |
CN-112812114-A | Isoxazole derivative, pharmaceutical composition containing isoxazole derivative, and preparation method and application of isoxazole derivative | 20191115 |
CN-112390852-A | Compound as protein degradation agent and preparation method and application thereof | 20190814 |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0499671 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0499671 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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