Ethyl 2-(5-Bromobenzofuran-3-yl)acetate - CAS 200204-85-9

Catalog:	BB015455
Product Name:	Ethyl 2-(5-Bromobenzofuran-3-yl)acetate
CAS:	200204-85-9
Synonyms:	2-(5-bromo-3-benzofuranyl)acetic acid ethyl ester; ethyl 2-(5-bromo-1-benzofuran-3-yl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-(5-bromo-1-benzofuran-3-yl)acetate
Description:	Ethyl 2-(5-Bromobenzofuran-3-yl)acetate (CAS# 200204-85-9) is a useful research chemical.
Molecular Weight:	283.12
Molecular Formula:	C12H11BrO3
Canonical SMILES:	CCOC(=O)CC1=COC2=C1C=C(C=C2)Br
InChI:	InChI=1S/C12H11BrO3/c1-2-15-12(14)5-8-7-16-11-4-3-9(13)6-10(8)11/h3-4,6-7H,2,5H2,1H3
InChI Key:	NWCIURORZMAWNA-UHFFFAOYSA-N
Boiling Point:	341.7 °C at 760 mmHg
Density:	1.475 g/cm³
MDL:	MFCD09878709
LogP:	3.30090

Publication Number	Title	Priority Date
WO-2021047674-A1	Bicyclic compound that acts as crbn protein regulator	20190912
US-2014213538-A1	Lysophosphatidic acid receptor antagonists	20130115
WO-2014113485-A1	Lysophosphatidic acid receptor antagonists	20130115
CA-2255696-A1	Azetidine, pyrrolidine and piperidine derivatives as 5-ht1d receptor agonists	19960524
EP-0906308-A1	Azetidine, pyrrolidine and piperidine derivatives as 5-ht1d receptor agonists	19960524

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.98916
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	281.98916
Rotatable Bond Count:	4
Topological Polar Surface Area:	39.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2