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6-Bromo-1,1-dimethylindane

6-Bromo-1,1-dimethylindane - CAS 67159-88-0

Catalog:	BB033204
Product Name:	6-Bromo-1,1-dimethylindane
CAS:	67159-88-0
Synonyms:	5-bromo-3,3-dimethyl-1,2-dihydroindene; 5-bromo-3,3-dimethyl-1,2-dihydroindene

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-3,3-dimethyl-1,2-dihydroindene
Description:	6-Bromo-1,1-dimethylindane (CAS# 67159-88-0 ) is a useful research chemical.
Molecular Weight:	225.12
Molecular Formula:	C11H13Br
Canonical SMILES:	CC1(CCC2=C1C=C(C=C2)Br)C
InChI:	InChI=1S/C11H13Br/c1-11(2)6-5-8-3-4-9(12)7-10(8)11/h3-4,7H,5-6H2,1-2H3
InChI Key:	XTSAEIQNMRIQAS-UHFFFAOYSA-N
LogP:	3.67290

Publication Number	Title	Priority Date
KR-20210059632-A	Novel derivatives having 2,3-dihydro-1H-indene or 2,3-dihydrobenzofuran moiety or pharmaceutically acceptable salt thereof and pharmaceutical compositions comprising the same	20191115
WO-2021096238-A1	Novel derivatives having 2,3-dihydro-1h-indene or 2,3-dihydrobenzofuran moiety or pharmaceutically acceptable salt thereof and pharmaceutical compositions comprising the same	20191115
EP-3447045-A1	Kcnq 2-5 channel activator	20160422
JP-WO2017183723-A1	KCNQ2-5 channel activator	20160422
US-10519105-B2	KCNQ2-5 channel activator	20160422

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.02006
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.02006
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3