Ethyl 5-Chloroindole-3-carboxylate - CAS 91349-03-0

Catalog:	BB040132
Product Name:	Ethyl 5-Chloroindole-3-carboxylate
CAS:	91349-03-0
Synonyms:	5-chloro-1H-indole-3-carboxylic acid ethyl ester; ethyl 5-chloro-1H-indole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 5-chloro-1H-indole-3-carboxylate
Description:	Ethyl 5-Chloroindole-3-carboxylate (CAS# 91349-03-0 ) is a useful research chemical.
Molecular Weight:	223.66
Molecular Formula:	C11H10ClNO2
Canonical SMILES:	CCOC(=O)C1=CNC2=C1C=C(C=C2)Cl
InChI:	InChI=1S/C11H10ClNO2/c1-2-15-11(14)9-6-13-10-4-3-7(12)5-8(9)10/h3-6,13H,2H2,1H3
InChI Key:	DWOHEEIRNZANTC-UHFFFAOYSA-N
Boiling Point:	375.0±22.0 °C (760 mmHg)
Density:	1.329±0.06 g/cm³(20 °C , 760mmH g)
LogP:	2.99800

Publication Number	Title	Priority Date
EP-2398760-A1	Allosteric binding compounds	20090220
WO-2010094289-A1	Allosteric binding compounds	20090220
KR-20070053622-A	Novel compounds that enhance the activity of PPARÎ³ and PPARÎ±, methods for preparing the same, and pharmaceutical compositions containing the same	20051121
WO-2007058504-A1	Novel compounds as agonist for ppar gamma and ppar alpha, method for preparation of the same, and pharmaceutical composition containing the same	20051121
US-2004009976-A1	Hypoglycemic imidazoline compounds	20020430

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Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0400063
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.0400063
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7