6-Chloro-2,3-dihydro-1,4-benzodioxine - CAS 57744-68-0

Catalog:	BB029803
Product Name:	6-Chloro-2,3-dihydro-1,4-benzodioxine
CAS:	57744-68-0
Synonyms:	6-chloro-2,3-dihydro-1,4-benzodioxin; 6-chloro-2,3-dihydro-1,4-benzodioxine

Technical Data

Patents

Computed Properties

IUPAC Name:	6-chloro-2,3-dihydro-1,4-benzodioxine
Description:	6-Chloro-2,3-dihydro-1,4-benzodioxin can be used to prepare naphthylsulfonylamino hydroxamic acid as matrix metalloproteinase MMP-12 and MMP-13 inhibitors.
Molecular Weight:	170.59
Molecular Formula:	C8H7ClO2
Canonical SMILES:	C1COC2=C(O1)C=CC(=C2)Cl
InChI:	InChI=1S/C8H7ClO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2
InChI Key:	IAMGLKFTCUZWQO-UHFFFAOYSA-N
LogP:	2.11120

Publication Number	Title	Priority Date
KR-20190026906-A	Tricyclic heteroaryl-substituted quinolines and azoquinoline compounds as PAR4 inhibitors	20160714
WO-2014140065-A1	N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides and their use as pharmaceuticals	20130313
KR-20140082736-A	Process for the preparation of sulfamide derivatives	20110929
US-2012316182-A1	Compounds that modulate intracellular calcium	20110610
US-2013245063-A1	Compounds that modulate intracellular calcium	20110610

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Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0134572
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.0134572
Rotatable Bond Count:	0
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1