4-Fluoroindole-3-acetic Acid - CAS 89434-03-7

Catalog:	BB039480
Product Name:	4-Fluoroindole-3-acetic Acid
CAS:	89434-03-7
Synonyms:	2-(4-fluoro-1H-indol-3-yl)acetic acid; 2-(4-fluoro-1H-indol-3-yl)acetic acid

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Computed Properties

IUPAC Name:	2-(4-fluoro-1H-indol-3-yl)acetic acid
Description:	4-Fluoroindole-3-acetic Acid (CAS# 89434-03-7) is a useful research chemical.
Molecular Weight:	193.17
Molecular Formula:	C10H8FNO2
Canonical SMILES:	C1=CC2=C(C(=C1)F)C(=CN2)CC(=O)O
InChI:	InChI=1S/C10H8FNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
InChI Key:	QBQZALKPPLUCQY-UHFFFAOYSA-N
Boiling Point:	417.867 °C at 760 mmHg
Density:	1.447 g/cm³
LogP:	1.93410

Publication Number	Title	Priority Date
EP-3438108-A1	Phenyl [a]indole[2,3-g]quinolizine compounds, preparation method therefor, pharmaceutical composition, and applications thereof	20160330
JP-2019510049-A	Benzo [a] indolo [2,3-g] quinolizine compounds, process for their preparation, drug compositions and their use	20160330
KR-20190003533-A	Phenyl [a] indole [2,3-g] quinazoline compounds, their preparation, pharmaceutical compositions and their applications	20160330
US-2019194185-A1	Phenyl [a]indole[2,3-g]quinolizine compounds, preparation method therefor, pharmaceutical composition, and applications thereof	20160330
WO-2017167202-A1	Phenyl [a]indole[2,3-g]quinolizine compounds, preparation method therefor, pharmaceutical composition, and applications thereof	20160330

PMID	Publication Date	Title	Journal
17481907	20070701	Binding of ring-substituted indole-3-acetic acids to human serum albumin	Bioorganic & medicinal chemistry
12182852	20020916	Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.05390666
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	193.05390666
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7