4-Fluoro-3-(hydroxymethyl)phenylboronic Acid - CAS 481681-02-1
Catalog: |
BB026509 |
Product Name: |
4-Fluoro-3-(hydroxymethyl)phenylboronic Acid |
CAS: |
481681-02-1 |
Synonyms: |
[4-fluoro-3-(hydroxymethyl)phenyl]boronic acid; [4-fluoro-3-(hydroxymethyl)phenyl]boronic acid |
IUPAC Name: | [4-fluoro-3-(hydroxymethyl)phenyl]boronic acid |
Description: | 4-Fluoro-3-(hydroxymethyl)phenylboronic Acid (CAS# 481681-02-1) is a useful research chemical. |
Molecular Weight: | 169.95 |
Molecular Formula: | C7H8FO3B |
Canonical SMILES: | B(C1=CC(=C(C=C1)F)CO)(O)O |
InChI: | InChI=1S/C7H8BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,10-12H,4H2 |
InChI Key: | PWMOQHMTXJYUGE-UHFFFAOYSA-N |
Boiling Point: | 365.8 °C at 760 mmHg |
Density: | 1.35 g/cm3 |
Appearance: | White solid |
MDL: | MFCD08235075 |
LogP: | -1.00220 |
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-2020150307-A1 | Phosphonate conjugates and uses thereof | 20190115 |
KR-20200060269-A | Novel tricyclic compound as IRAK4 inhibitors | 20181121 |
WO-2020106059-A1 | Novel tricyclic compound as irak4 inhibitor | 20181121 |
EP-3885348-A1 | Novel tricyclic compound as irak4 inhibitor | 20181121 |
WO-2020053811-A1 | Inhibitors of human immunodeficiency virus replication | 20180914 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0550524 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0550524 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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