2-Fluoro-4-(methoxycarbonyl)phenylboronic Acid - CAS 603122-84-5
Catalog: |
BB030647 |
Product Name: |
2-Fluoro-4-(methoxycarbonyl)phenylboronic Acid |
CAS: |
603122-84-5 |
Synonyms: |
(2-fluoro-4-methoxycarbonylphenyl)boronic acid; (2-fluoro-4-methoxycarbonylphenyl)boronic acid |
IUPAC Name: | (2-fluoro-4-methoxycarbonylphenyl)boronic acid |
Description: | 2-Fluoro-4-(methoxycarbonyl)phenylboronic Acid (CAS# 603122-84-5) is a useful research chemical. |
Molecular Weight: | 197.96 |
Molecular Formula: | C8H8FO4B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C(=O)OC)F)(O)O |
InChI: | InChI=1S/C8H8BFO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3 |
InChI Key: | BKWRLCIYMAYFPA-UHFFFAOYSA-N |
Boiling Point: | 355.1 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
MDL: | MFCD07784197 |
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 |
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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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