4,7-Dichloroindole-3-acetic Acid - CAS 63352-96-5

Catalog:	BB032112
Product Name:	4,7-Dichloroindole-3-acetic Acid
CAS:	63352-96-5
Synonyms:	2-(4,7-dichloro-1H-indol-3-yl)acetic acid; 2-(4,7-dichloro-1H-indol-3-yl)acetic acid

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Computed Properties

IUPAC Name:	2-(4,7-dichloro-1H-indol-3-yl)acetic acid
Description:	4,7-Dichloroindole-3-acetic Acid (CAS# 63352-96-5 ) is a useful research chemical.
Molecular Weight:	244.07
Molecular Formula:	C10H7Cl2NO2
Canonical SMILES:	C1=CC(=C2C(=C1Cl)C(=CN2)CC(=O)O)Cl
InChI:	InChI=1S/C10H7Cl2NO2/c11-6-1-2-7(12)10-9(6)5(4-13-10)3-8(14)15/h1-2,4,13H,3H2,(H,14,15)
InChI Key:	YFOZTVITJDDLHT-UHFFFAOYSA-N
Boiling Point:	470.4 °C at 760 mmHg
Density:	1.592 g/cm³
LogP:	3.10180

Publication Number	Title	Priority Date
JP-3007962-B2	Fluorinated Î±-indolepropionic acids, production method thereof and plant growth regulator containing the same as active ingredient	19980604
JP-H11349569-A	Fluorinated Î±-indolepropionic acids, production method thereof and plant growth regulator containing the same as active ingredient	19980604
EP-0652212-A1	Substituted fluorine-containing beta-indolebutyric acid derivatives, their preparation and their use as plant growth regulators	19931109
EP-0652212-B1	Substituted fluorine-containing beta-indolebutyric acid derivatives, their preparation and their use as plant growth regulators	19931109
JP-H07100691-B2	Substituted fluorine-containing .BETA.-indole butyric acids and plant growth regulators containing them as active ingredients	19931109

PMID	Publication Date	Title	Journal
17481907	20070701	Binding of ring-substituted indole-3-acetic acids to human serum albumin	Bioorganic & medicinal chemistry
12447543	20021201	Species differences in ligand specificity of auxin-controlled elongation and auxin transport: comparing Zea and Vigna	Planta

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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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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MG-132

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Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.9853839
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	242.9853839
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8