Ethyl 3-(4-Bromophenyl)-2-cyanoacrylate - CAS 18861-58-0

Catalog:	BB014532
Product Name:	Ethyl 3-(4-Bromophenyl)-2-cyanoacrylate
CAS:	18861-58-0
Synonyms:	(E)-3-(4-bromophenyl)-2-cyano-2-propenoic acid ethyl ester; ethyl (E)-3-(4-bromophenyl)-2-cyanoprop-2-enoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl (E)-3-(4-bromophenyl)-2-cyanoprop-2-enoate
Description:	Ethyl 3-(4-Bromophenyl)-2-cyanoacrylate (CAS# 18861-58-0 ) is a useful research chemical.
Molecular Weight:	280.12
Molecular Formula:	C12H10BrNO2
Canonical SMILES:	CCOC(=O)C(=CC1=CC=C(C=C1)Br)C#N
InChI:	InChI=1S/C12H10BrNO2/c1-2-16-12(15)10(8-14)7-9-3-5-11(13)6-4-9/h3-7H,2H2,1H3/b10-7+
InChI Key:	MJGTUYOCBQBORS-JXMROGBWSA-N
LogP:	2.91918

Publication Number	Title	Priority Date
EP-3553097-A1	Copolymer and optical film using same	20161207
US-2020095358-A1	Copolymer and optical film using same	20161207
US-2017275260-A1	Allosteric modulators of nicotinic acetylcholine receptors	20160322
US-2018030007-A1	Allosteric modulators of nicotinic acetylcholine receptors	20160322
US-9840481-B2	Allosteric modulators of nicotinic acetylcholine receptors	20160322

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
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[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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Complexity:	321
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	278.98949
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	278.98949
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1