Methyl 3-(5-Bromo-3-indolyl)propanoate - CAS 835620-09-2

Name: Methyl 3-(5-Bromo-3-indolyl)propanoate
Brand: BOC Sciences
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Catalog:	BB037055
Product Name:	Methyl 3-(5-Bromo-3-indolyl)propanoate
CAS:	835620-09-2
Synonyms:	3-(5-bromo-1H-indol-3-yl)propanoic acid methyl ester; methyl 3-(5-bromo-1H-indol-3-yl)propanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-(5-bromo-1H-indol-3-yl)propanoate
Description:	Methyl 3-(5-Bromo-3-indolyl)propanoate (CAS# 835620-09-2 ) is a useful research chemical.
Molecular Weight:	282.13
Molecular Formula:	C12H12BrNO2
Canonical SMILES:	COC(=O)CCC1=CNC2=C1C=C(C=C2)Br
InChI:	InChI=1S/C12H12BrNO2/c1-16-12(15)5-2-8-7-14-11-4-3-9(13)6-10(8)11/h3-4,6-7,14H,2,5H2,1H3
InChI Key:	WZHMTEXRCOGVCU-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

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Publication Number	Title	Priority Date
WO-2019154395-A1	Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof	20180206
EP-3750886-A1	Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof	20180206
US-2021040066-A1	Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof	20180206
AU-2006287513-A1	1, 3-disubstituted indole derivatives for use as PPAR modulators	20050907
BR-PI0615929-A2	ppar active compounds, composition, kit and use thereof	20050907

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.00514
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	281.00514
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2