5-Fluoroindole-3-acetic Acid - CAS 443-73-2

Name: 5-Fluoroindole-3-acetic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025578
Product Name:	5-Fluoroindole-3-acetic Acid
CAS:	443-73-2
Synonyms:	2-(5-fluoro-1H-indol-3-yl)acetic acid; 2-(5-fluoro-1H-indol-3-yl)acetic acid

Technical Data

IUPAC Name:	2-(5-fluoro-1H-indol-3-yl)acetic acid
Description:	5-Fluoroindole-3-acetic Acid can be used as reactant/reagent for design, synthesis, and biol. evaluation of novel tetrahydroprotoberberine derivatives as selective α1A-adrenoceptor antagonists.
Molecular Weight:	193.17
Molecular Formula:	C10H8FNO2
Canonical SMILES:	C1=CC2=C(C=C1F)C(=CN2)CC(=O)O
InChI:	InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
InChI Key:	GWLLOJBOPVNWNF-UHFFFAOYSA-N
Boiling Point:	417.9 °C at 760 mmHg
Density:	1.446 g/cm³
Appearance:	Yellowish to off-white crystalline powder
MDL:	MFCD00056921
LogP:	1.93410

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

Publication Number	Title	Priority Date
US-2021115038-A1	Malic enzyme inhibitors	20191017
WO-2021074898-A1	Malic enzyme inhibitors	20191017
WO-2021066573-A1	Novel compound and use thereof in treating autoimmune diseases	20191004
KR-20210040803-A	Compounds and pharmaceutical compositions for treating autoimmune diseases	20191004
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704

PMID	Publication Date	Title	Journal
17481907	20070701	Binding of ring-substituted indole-3-acetic acids to human serum albumin	Bioorganic & medicinal chemistry
16443460	20060217	Sensitive high-performance liquid chromatographic assay for D-amino-acid oxidase activity in mammalian tissues using a fluorescent non-natural substrate, 5-fluoro-D-tryptophan	Journal of chromatography. A
16198131	20060101	A 1H/19F minicoil NMR probe for solid-state NMR: application to 5-fluoroindoles	Journal of magnetic resonance (San Diego, Calif. : 1997)
12182852	20020916	Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy	Bioorganic & medicinal chemistry letters
12067256	20020601	Reactivity toward thiols and cytotoxicity of 3-methylene-2-oxindoles, cytotoxins from indole-3-acetic acids, on activation by peroxidases	Chemical research in toxicology

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:	1.5