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

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Computed Properties

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

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

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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

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