2-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester - CAS 1485110-17-5

Name: 2-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB010311
Product Name:	2-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester
CAS:	1485110-17-5
Synonyms:	[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

Technical Data

IUPAC Name:	[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
Description:	2-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester (CAS# 1485110-17-5) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	268.54
Molecular Formula:	C13H18ClO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CO)Cl
InChI:	InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15/h5-7,16H,8H2,1-4H3
InChI Key:	AAZKVONTUGPEJQ-UHFFFAOYSA-N
LogP:	2.43990

Publication Number	Title	Priority Date
AU-2008219166-A1	Nitrogen-containing heterocyclyl ketones and their use as c-Met inhibitors	20070216
AU-2008219166-B2	Nitrogen-containing heterocyclyl ketones and their use as c-Met inhibitors	20070216
CA-2676173-A1	Nitrogen-containing heterocyclyl ketones and their use as c-met inhibitors	20070216
EP-2114898-A2	Nitrogen-containing heterocyclyl ketones and their use as c-met inhibitors	20070216
JP-2010519204-A	Nitrogen-containing heterocyclic ketones and their use as c-Met inhibitors	20070216

Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.1037523
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	268.1037523
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0