2-Chloro-3-(hydroxymethyl)phenylboronic Acid Pinacol Ester - CAS 1400755-07-8

Name: 2-Chloro-3-(hydroxymethyl)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB009031
Product Name:	2-Chloro-3-(hydroxymethyl)phenylboronic Acid Pinacol Ester
CAS:	1400755-07-8
Synonyms:	[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

Technical Data

IUPAC Name:	[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
Description:	2-Chloro-3-(hydroxymethyl)phenylboronic Acid Pinacol Ester (CAS# 1400755-07-8) 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(=CC=C2)CO)Cl
InChI:	InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-16)11(10)15/h5-7,16H,8H2,1-4H3
InChI Key:	HBLMMENVLOTBES-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.13150

Publication Number	Title	Priority Date
BR-102018007822-A2	compound, methods for inhibiting pd-1, pd-11 and / or interaction of pd-1 / pd-11 and for cancer treatment, pharmaceutical composition, and kit for treating or preventing cancer or a disease or condition	20170420
CN-110799509-A	PD-1/PD-L1 inhibitors	20170420
KR-20190141183-A	PD-1 / PD-L1 inhibitor	20170420
US-2018305315-A1	Pd-1/pd-l1 inhibitors	20170420
JP-2020518561-A	PD-1/PD-L1 inhibitor	20170420

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