Ethyl 5-Bromoindole-3-acetate - CAS 171513-35-2

Catalog:	BB012753
Product Name:	Ethyl 5-Bromoindole-3-acetate
CAS:	171513-35-2
Synonyms:	2-(5-bromo-1H-indol-3-yl)acetic acid ethyl ester; ethyl 2-(5-bromo-1H-indol-3-yl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(5-bromo-1H-indol-3-yl)acetate
Description:	Ethyl 5-Bromoindole-3-acetate (CAS# 171513-35-2 ) is a useful research chemical.
Molecular Weight:	282.13
Molecular Formula:	C12H12BrNO2
Canonical SMILES:	CCOC(=O)CC1=CNC2=C1C=C(C=C2)Br
InChI:	InChI=1S/C12H12BrNO2/c1-2-16-12(15)5-8-7-14-11-4-3-9(13)6-10(8)11/h3-4,6-7,14H,2,5H2,1H3
InChI Key:	CMIOCERDHVURFW-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-3636642-A1	Indoleacetic acid derivative and preparation method and pharmaceutical use thereof	20170607
US-2020095271-A1	Indoleacetic acid derivative and preparation method and pharmaceutical use thereof	20170607
WO-2018223819-A1	Indoleacetic acid derivative and preparation method and pharmaceutical use thereof	20170607
JP-2020522579-A	Indole acetic acid derivative, its production method and pharmaceutical use	20170607
US-11008360-B2	Indoleacetic acid derivative and preparation method and pharmaceutical use thereof	20170607

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid

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Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.00514
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	281.00514
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8