Ethyl 3-(4-Bromophenyl)acrylate - CAS 15795-20-7

Catalog:	BB011374
Product Name:	Ethyl 3-(4-Bromophenyl)acrylate
CAS:	15795-20-7
Synonyms:	(E)-3-(4-bromophenyl)-2-propenoic acid ethyl ester; ethyl (E)-3-(4-bromophenyl)prop-2-enoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl (E)-3-(4-bromophenyl)prop-2-enoate
Description:	Ethyl 3-(4-Bromophenyl)acrylate (CAS# 15795-20-7 ) is a useful research chemical.
Molecular Weight:	255.11
Molecular Formula:	C11H11BrO2
Canonical SMILES:	CCOC(=O)C=CC1=CC=C(C=C1)Br
InChI:	InChI=1S/C11H11BrO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+
InChI Key:	YOOKYIPLSLPRTC-VMPITWQZSA-N
LogP:	3.02540

Publication Number	Title	Priority Date
US-2019308985-A1	Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds	20161130
WO-2018102252-A1	Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds	20161130
US-10836774-B2	Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds	20161130
CA-3018185-A1	Allosteric modulators of nicotinic acetylcholine receptors	20160322
JP-2019512508-A	Allosteric modulators of nicotinic acetylcholine receptor	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
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	253.99424
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	253.99424
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7