5-Bromo-7-methylbenzofuran - CAS 170681-91-1

Catalog:	BB012661
Product Name:	5-Bromo-7-methylbenzofuran
CAS:	170681-91-1
Synonyms:	5-bromo-7-methylbenzofuran; 5-bromo-7-methyl-1-benzofuran

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-7-methyl-1-benzofuran
Description:	5-Bromo-7-methylbenzofuran (CAS# 170681-91-1) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C9H7BrO
Canonical SMILES:	CC1=C2C(=CC(=C1)Br)C=CO2
InChI:	InChI=1S/C9H7BrO/c1-6-4-8(10)5-7-2-3-11-9(6)7/h2-5H,1H3
InChI Key:	FYSCPARNNVMYGE-UHFFFAOYSA-N
LogP:	3.50370

Publication Number	Title	Priority Date
JP-2017081918-A	Kynurenin-3-monooxygenase inhibitor, pharmaceutical composition thereof, and method of use thereof	20110830
AU-706606-B2	Piperidine and morpholine derivatives and their use as therapeutic agents	19950628
CA-2224474-A1	Piperidine and morpholine derivatives and their use as therapeutic agents	19950628
EP-0837858-A1	Piperidine and morpholine derivatives and their use as therapeutic agents	19950628
JP-H11508552-A	Piperidine and morpholine derivatives and their use as therapeutic agents	19950628

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.96803
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.96803
Rotatable Bond Count:	0
Topological Polar Surface Area:	13.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4