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2-(2-Bromoallyl)isoindoline-1,3-dione

2-(2-Bromoallyl)isoindoline-1,3-dione - CAS 500589-29-7

Catalog:	BB026907
Product Name:	2-(2-Bromoallyl)isoindoline-1,3-dione
CAS:	500589-29-7
Synonyms:	2-(2-bromoprop-2-enyl)isoindole-1,3-dione; 2-(2-bromoprop-2-enyl)isoindole-1,3-dione

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(2-bromoprop-2-enyl)isoindole-1,3-dione
Description:	2-(2-Bromoallyl)isoindoline-1,3-dione (CAS# 500589-29-7 ) is a useful research chemical.
Molecular Weight:	266.09
Molecular Formula:	C11H8BrNO2
Canonical SMILES:	C=C(CN1C(=O)C2=CC=CC=C2C1=O)Br
InChI:	InChI=1S/C11H8BrNO2/c1-7(12)6-13-10(14)8-4-2-3-5-9(8)11(13)15/h2-5H,1,6H2
InChI Key:	ZYIRTORSRBLZFG-UHFFFAOYSA-N

Publication Number	Title	Priority Date
JP-2015214535-A	N-alkenyl substituted amide compounds and pest control agents	20140218
US-2012041193-A1	Substituted internal vinyl-boronic acids and boronic acid derivatives	20100812
EP-1019377-A1	Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 (nk-3)- and neurokinin 2 (nk-2) receptor antagonists.	19951124
US-2002068827-A1	Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists	19951124
WO-9719926-A1	Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 (nk-3)- and neurokinin 2 (nk-2) receptor antagonists.	19951124

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Complexity:	303
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	264.97384
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	264.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4