Methyl 3-(5-Chloro-3-indolyl)propanoate - CAS 342636-62-8

Name: Methyl 3-(5-Chloro-3-indolyl)propanoate
Brand: BOC Sciences
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Catalog:	BB022037
Product Name:	Methyl 3-(5-Chloro-3-indolyl)propanoate
CAS:	342636-62-8
Synonyms:	3-(5-chloro-1H-indol-3-yl)propanoic acid methyl ester; methyl 3-(5-chloro-1H-indol-3-yl)propanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-(5-chloro-1H-indol-3-yl)propanoate
Description:	Methyl 3-(5-Chloro-3-indolyl)propanoate (CAS# 342636-62-8 ) is a useful research chemical.
Molecular Weight:	237.68
Molecular Formula:	C12H12ClNO2
Canonical SMILES:	COC(=O)CCC1=CNC2=C1C=C(C=C2)Cl
InChI:	InChI=1S/C12H12ClNO2/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:	FJAZNPLDRGFDJW-UHFFFAOYSA-N
LogP:	2.92690

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Publication Number	Title	Priority Date
AU-2008222810-A1	PPAR active compounds	20070308
CA-2679411-A1	Ppar active compounds	20070308
EP-2114879-A1	Ppar active compounds	20070308
JP-2010520877-A	PPAR active compounds	20070308
KR-20090118055-A	PPC active compound	20070308

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.0556563
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.0556563
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2