2-(1-Bromoethyl)anisole - CAS 223375-01-7

Catalog:	BB017528
Product Name:	2-(1-Bromoethyl)anisole
CAS:	223375-01-7
Synonyms:	1-(1-bromoethyl)-2-methoxybenzene; 1-(1-bromoethyl)-2-methoxybenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(1-bromoethyl)-2-methoxybenzene
Description:	2-(1-Bromoethyl)anisole (CAS# 223375-01-7 ) is a useful research chemical.
Molecular Weight:	215.09
Molecular Formula:	C9H11BrO
Canonical SMILES:	CC(C1=CC=CC=C1OC)Br
InChI:	InChI=1S/C9H11BrO/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7H,1-2H3
InChI Key:	SEUBCPWOISVAPH-UHFFFAOYSA-N
LogP:	3.15110

Publication Number	Title	Priority Date
CA-2862289-A1	Modulators of methyl modifying enzymes, compositions and uses thereof	20120210
EP-2812001-B1	Modulators of methyl modifying enzymes, compositions and uses thereof	20120210
US-2015011546-A1	Modulators of methyl modifying enzymes, compositions and uses thereof	20120210
US-2015259351-A1	Modulators of methyl modifying enzymes, compositions and uses thereof	20120210
US-2016333016-A1	Modulators of methyl modifying enzymes, compositions and uses thereof	20120210

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Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.99933
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.99933
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9