4-Bromoindole-3-acetic Acid - CAS 89245-41-0

Catalog:	BB039388
Product Name:	4-Bromoindole-3-acetic Acid
CAS:	89245-41-0
Synonyms:	2-(4-bromo-1H-indol-3-yl)acetic acid; 2-(4-bromo-1H-indol-3-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromo-1H-indol-3-yl)acetic acid
Description:	4-Bromoindole-3-acetic Acid (CAS# 89245-41-0) is a useful research chemical.
Molecular Weight:	254.08
Molecular Formula:	C10H8BrNO2
Canonical SMILES:	C1=CC2=C(C(=C1)Br)C(=CN2)CC(=O)O
InChI:	InChI=1S/C10H8BrNO2/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:	AQIDQZFQDRENOY-UHFFFAOYSA-N
MDL:	MFCD09751717
LogP:	2.55750

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

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Related Functional Groups

Carbonyl Compounds

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[1383427-98-2]
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[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:	252.97384
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	252.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2