5-Bromo-7-methoxybenzofuran - CAS 164414-62-4

Catalog:	BB012107
Product Name:	5-Bromo-7-methoxybenzofuran
CAS:	164414-62-4
Synonyms:	5-bromo-7-methoxybenzofuran; 5-bromo-7-methoxy-1-benzofuran

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-7-methoxy-1-benzofuran
Description:	5-Bromo-7-methoxybenzofuran (CAS# 164414-62-4 ) is a useful research chemical.
Molecular Weight:	227.05
Molecular Formula:	C9H7BrO2
Canonical SMILES:	COC1=C2C(=CC(=C1)Br)C=CO2
InChI:	InChI=1S/C9H7BrO2/c1-11-8-5-7(10)4-6-2-3-12-9(6)8/h2-5H,1H3
InChI Key:	RFRKRHOQHQGVMZ-UHFFFAOYSA-N
LogP:	3.20390

Publication Number	Title	Priority Date
WO-2012040511-A2	Compounds that modulate intracellular calcium	20100922
EP-2477982-A2	Compounds that modulate intracellular calcium	20090916
WO-2011034962-A2	Compounds that modulate intracellular calcium	20090916
US-2011136816-A1	Compounds that modulate intracellular calcium	20080827
AU-728329-B2	New substituted biphenyl or phenylpyridine compounds, a process for their preparation and pharmaceutical compositions containing them	19961004

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.96294
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.96294
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3