2-Chloro-6-fluoro-3-hydroxyphenylboronic Acid - CAS 957121-07-2

Catalog:	BB041821
Product Name:	2-Chloro-6-fluoro-3-hydroxyphenylboronic Acid
CAS:	957121-07-2
Synonyms:	(2-chloro-6-fluoro-3-hydroxyphenyl)boronic acid; (2-chloro-6-fluoro-3-hydroxyphenyl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(2-chloro-6-fluoro-3-hydroxyphenyl)boronic acid
Description:	2-Chloro-6-fluoro-3-hydroxyphenylboronic Acid (CAS# 957121-07-2) is a useful research chemical.
Molecular Weight:	190.36
Molecular Formula:	C6H5ClFO3B
Canonical SMILES:	B(C1=C(C=CC(=C1Cl)O)F)(O)O
InChI:	InChI=1S/C6H5BClFO3/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,10-12H
InChI Key:	MMQMWHTYNPPUMF-UHFFFAOYSA-N
Boiling Point:	378.7 °C at 760 mmHg
Density:	1.58 g/cm³
MDL:	MFCD09800886
LogP:	-0.13550

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416

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Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.00043
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	190.00043
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0