3,4-Dihydro-2H-1,5-benzodioxepine-7-boronic Acid - CAS 279261-89-1

Catalog:	BB019711
Product Name:	3,4-Dihydro-2H-1,5-benzodioxepine-7-boronic Acid
CAS:	279261-89-1
Synonyms:	3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid; 3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid

Technical Data

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Computed Properties

IUPAC Name:	3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
Description:	3,4-Dihydro-2H-1,5-benzodioxepine-7-boronic Acid (CAS# 279261-89-1) is a useful research chemical.
Molecular Weight:	193.99
Molecular Formula:	C9H11O4B
Canonical SMILES:	B(C1=CC2=C(C=C1)OCCCO2)(O)O
InChI:	InChI=1S/C9H11BO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6,11-12H,1,4-5H2
InChI Key:	CSNCBPVLUIFJOS-UHFFFAOYSA-N
Boiling Point:	371 °C at 760 mmHg
Density:	1.29 g/cm³
LogP:	-0.47230

Publication Number	Title	Priority Date
JP-2019519564-A	Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic disorders	20160628
US-2020109131-A1	Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases	20160628
US-10858342-B2	Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases	20160628
EP-3475262-B1	Bicyclic imidazole derivatives useful for the treatment of renal disease, cardiovascular diseases and fibrotic disorders	20160628
JP-6914974-B2	Bicyclic imidazole derivatives useful in the treatment of renal, cardiovascular, and fibrotic disorders	20160628

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Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.075039
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	194.075039
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0