3-Fluoro-5-methoxycarbonylphenylboronic Acid - CAS 871329-62-3
Catalog: |
BB038288 |
Product Name: |
3-Fluoro-5-methoxycarbonylphenylboronic Acid |
CAS: |
871329-62-3 |
Synonyms: |
(3-fluoro-5-methoxycarbonylphenyl)boronic acid; (3-fluoro-5-methoxycarbonylphenyl)boronic acid |
IUPAC Name: | (3-fluoro-5-methoxycarbonylphenyl)boronic acid |
Description: | 3-Fluoro-5-methoxycarbonylphenylboronic Acid (CAS# 871329-62-3) is a useful research chemical. |
Molecular Weight: | 197.96 |
Molecular Formula: | C8H8FO4B |
Canonical SMILES: | B(C1=CC(=CC(=C1)F)C(=O)OC)(O)O |
InChI: | InChI=1S/C8H8BFO4/c1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h2-4,12-13H,1H3 |
InChI Key: | VKHJVASTGLPBBL-UHFFFAOYSA-N |
Boiling Point: | 372.5 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
Appearance: | White powder |
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-2021090030-A1 | Gpr52 modulator compounds | 20191108 |
CN-112480116-A | PKB inhibitors | 20190911 |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
WO-2020247160-A1 | Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators | 20190514 |
KR-20190110736-A | Novel triazolone derivatives or its salt and pharmaceutical compositions comprising the same | 20180321 |
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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