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4-(2-Bromoethyl)-2-fluoroanisole

4-(2-Bromoethyl)-2-fluoroanisole - CAS 404-89-7

Catalog:	BB024526
Product Name:	4-(2-Bromoethyl)-2-fluoroanisole
CAS:	404-89-7
Synonyms:	4-(2-bromoethyl)-2-fluoro-1-methoxybenzene; 4-(2-bromoethyl)-2-fluoro-1-methoxybenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(2-bromoethyl)-2-fluoro-1-methoxybenzene
Description:	4-(2-Bromoethyl)-2-fluoroanisole (CAS# 404-89-7 ) is a useful research chemical.
Molecular Weight:	233.08
Molecular Formula:	C9H10BrFO
Canonical SMILES:	COC1=C(C=C(C=C1)CCBr)F
InChI:	InChI=1S/C9H10BrFO/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6H,4-5H2,1H3
InChI Key:	XZVCZATZZWKEQJ-UHFFFAOYSA-N
LogP:	2.77170

Publication Number	Title	Priority Date
AU-2012280420-B2	1, 2, 4 -thiadiazol- 5 -ylpiperazine derivatives useful in the treatment neurodegenerative diseases	20110701
CA-2837247-A1	1 , 2 , 4 -thiadiazol- 5 -ylpiperazine derivatives useful in the treatment neurodegenerative diseases	20110701
EP-2726470-A1	1, 2, 4 -thiadiazol- 5 -ylpiperazine derivatives useful in the treatment neurodegenerative diseases	20110701
EP-2726470-B1	1,2,4-thiadiazol-5-ylpiperazine derivatives useful in the treatment of neurodegenerative diseases	20110701
JP-2014518240-A	1,2,4-thiadiazol-5-ylpiperazine derivatives useful for the treatment of neurodegenerative diseases	20110701

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Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.98991
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.98991
Rotatable Bond Count:	3
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6