3-Chloro-4-morpholinophenylboronic Acid Pinacol Ester - CAS 1361110-63-5

Name: 3-Chloro-4-morpholinophenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB008301
Product Name:	3-Chloro-4-morpholinophenylboronic Acid Pinacol Ester
CAS:	1361110-63-5
Synonyms:	4-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine; 4-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine

Technical Data

IUPAC Name:	4-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
Description:	3-Chloro-4-morpholinophenylboronic Acid Pinacol Ester (CAS# 1361110-63-5) is a useful research chemical.
Molecular Weight:	323.62
Molecular Formula:	C16H23ClNO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N3CCOCC3)Cl
InChI:	InChI=1S/C16H23BClNO3/c1-15(2)16(3,4)22-17(21-15)12-5-6-14(13(18)11-12)19-7-9-20-10-8-19/h5-6,11H,7-10H2,1-4H3
InChI Key:	SKJAWVMUHVUHMM-UHFFFAOYSA-N
MDL:	MFCD18070979
LogP:	2.54080

Publication Number	Title	Priority Date
WO-2020030924-A1	Thiazoleureas as anticancer agents	20180810
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Complexity:	385
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	323.1459515
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	323.1459515
Rotatable Bond Count:	2
Topological Polar Surface Area:	30.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0