Ethyl 5-Chloroindole-3-acetate - CAS 221188-28-9

Catalog:	BB017395
Product Name:	Ethyl 5-Chloroindole-3-acetate
CAS:	221188-28-9
Synonyms:	2-(5-chloro-1H-indol-3-yl)acetic acid ethyl ester; ethyl 2-(5-chloro-1H-indol-3-yl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-(5-chloro-1H-indol-3-yl)acetate
Description:	Ethyl 5-Chloroindole-3-acetate (CAS# 221188-28-9 ) is a useful research chemical.
Molecular Weight:	237.68
Molecular Formula:	C12H12ClNO2
Canonical SMILES:	CCOC(=O)CC1=CNC2=C1C=C(C=C2)Cl
InChI:	InChI=1S/C12H12ClNO2/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:	PIMXDLLTGLPARU-UHFFFAOYSA-N
LogP:	2.92690

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
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
CN-103209588-B	The production method of crops	20100903

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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic 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:	237.0556563
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.0556563
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7