3-Chloro-4-hydroxy-2-methylphenylboronic Acid Pinacol Ester - CAS 1799612-10-4

Name: 3-Chloro-4-hydroxy-2-methylphenylboronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013624
Product Name:	3-Chloro-4-hydroxy-2-methylphenylboronic Acid Pinacol Ester
CAS:	1799612-10-4
Synonyms:	2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Technical Data

IUPAC Name:	2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Description:	3-Chloro-4-hydroxy-2-methylphenylboronic Acid Pinacol Ester (CAS# 1799612-10-4 ) is a useful research chemical.
Molecular Weight:	268.54
Molecular Formula:	C13H18ClO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)O)Cl)C
InChI:	InChI=1S/C13H18BClO3/c1-8-9(6-7-10(16)11(8)15)14-17-12(2,3)13(4,5)18-14/h6-7,16H,1-5H3
InChI Key:	BTFZTLFXZKHQLJ-UHFFFAOYSA-N
LogP:	2.65320

Publication Number	Title	Priority Date
WO-2021067827-A1	Mcl1 inhibitors and uses thereof	20191003
WO-2020236817-A2	Mcl-1 inhibitor antibody-drug conjugates and methods of use	20190520
WO-2020236825-A2	Mcl-1 inhibitor antibody-drug conjugates and methods of use	20190520
TW-202100184-A	Mcl-1 inhibitor antibody-drug conjugates and methods of use	20190520
US-2019055264-A1	Macrocyclic MCL-1 inhibitors and methods of use	20170815

Complexity:	305
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:	1
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0