4-Fluoro-3-(methoxycarbonyl)phenylboronic Acid - CAS 874219-35-9
Catalog: |
BB038434 |
Product Name: |
4-Fluoro-3-(methoxycarbonyl)phenylboronic Acid |
CAS: |
874219-35-9 |
Synonyms: |
(4-fluoro-3-methoxycarbonylphenyl)boronic acid; (4-fluoro-3-methoxycarbonylphenyl)boronic acid |
IUPAC Name: | (4-fluoro-3-methoxycarbonylphenyl)boronic acid |
Description: | 4-Fluoro-3-(methoxycarbonyl)phenylboronic Acid (CAS# 874219-35-9) is a useful research chemical. |
Molecular Weight: | 197.96 |
Molecular Formula: | C8H8FO4B |
Canonical SMILES: | B(C1=CC(=C(C=C1)F)C(=O)OC)(O)O |
InChI: | InChI=1S/C8H8BFO4/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,12-13H,1H3 |
InChI Key: | GQBWFAIHGHHNMM-UHFFFAOYSA-N |
Boiling Point: | 364.8 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
Appearance: | White to off-white crystals or powder |
MDL: | MFCD06801688 |
LogP: | -0.70790 |
GHS Hazard Statement: | H302 (25%): 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 |
Publication Number | Title | Priority Date |
WO-2021088787-A1 | Quinazoline compound used as axl inhibitor | 20191107 |
CN-112480116-A | PKB inhibitors | 20190911 |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
TW-201902882-A | Novel nitrocatechol derivatives | 20170613 |
WO-2018230528-A1 | Novel nitrocatechol derivative | 20170613 |
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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