8-Chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester - CAS 943994-43-2

Name: 8-Chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB041293
Product Name:	8-Chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester
CAS:	943994-43-2
Synonyms:	8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one; 8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one

Technical Data

IUPAC Name:	8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one
Description:	8-Chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester (CAS# 943994-43-2 ) is a useful research chemical.
Molecular Weight:	309.55
Molecular Formula:	C14H17ClNO4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)Cl)OCC(=O)N3
InChI:	InChI=1S/C14H17BClNO4/c1-13(2)14(3,4)21-15(20-13)8-5-9(16)12-10(6-8)17-11(18)7-19-12/h5-6H,7H2,1-4H3,(H,17,18)
InChI Key:	IHGPIUMNZPHCDT-UHFFFAOYSA-N
LogP:	2.10810

Publication Number	Title	Priority Date
US-2010094000-A1	Pyrazole compounds	20080903
CA-2635541-A1	Fused heterocyclic compounds and their use as mineralocorticoid receptor ligands	20051228
JP-2009523701-A	Fused heterocyclic compounds and uses thereof	20051228
US-2009253687-A1	Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands	20051228

Complexity:	429
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	309.0939159
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	309.0939159
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0