3-Fluoro-4-methylphenylboronic Acid - CAS 168267-99-0
Catalog: |
BB012463 |
Product Name: |
3-Fluoro-4-methylphenylboronic Acid |
CAS: |
168267-99-0 |
Synonyms: |
(3-fluoro-4-methylphenyl)boronic acid; (3-fluoro-4-methylphenyl)boronic acid |
IUPAC Name: | (3-fluoro-4-methylphenyl)boronic acid |
Description: | 3-Fluoro-4-methylphenylboronic Acid (CAS# 168267-99-0) is an inhibitor of bacterial quorum sensing in Vibrio harveyi. |
Molecular Weight: | 153.95 |
Molecular Formula: | C7H8FO2B |
Canonical SMILES: | B(C1=CC(=C(C=C1)C)F)(O)O |
InChI: | InChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3 |
InChI Key: | WPVBHUUZDFUIJA-UHFFFAOYSA-N |
Boiling Point: | 345.1 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
MDL: | MFCD02683115 |
LogP: | -0.18610 |
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 |
CN-112851671-A | 4-substituted pyrido [2,3-d ] pyrimidine-7-ketone compound and preparation method and application thereof | 20210208 |
CN-112939971-A | Coumarin compound and preparation method and application thereof | 20210208 |
WO-2021193349-A1 | Hydrophilic oil repellent polymer | 20200324 |
WO-2021173917-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20200228 |
US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 20200130 |
PMID | Publication Date | Title | Journal |
20669927 | 20101111 | Medicinal chemistry as a conduit for the modulation of quorum sensing | Journal of medicinal chemistry |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0601378 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0601378 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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