2-(6-Chloro-3-indolyl)-2-oxoacetic Acid - CAS 929005-85-6

Catalog:	BB040708
Product Name:	2-(6-Chloro-3-indolyl)-2-oxoacetic Acid
CAS:	929005-85-6
Synonyms:	2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid; 2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
Description:	2-(6-Chloro-3-indolyl)-2-oxoacetic Acid (CAS# 929005-85-6 ) is a useful research chemical.
Molecular Weight:	223.61
Molecular Formula:	C10H6ClNO3
Canonical SMILES:	C1=CC2=C(C=C1Cl)NC=C2C(=O)C(=O)O
InChI:	InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(9(13)10(14)15)4-12-8(6)3-5/h1-4,12H,(H,14,15)
InChI Key:	OLZDVSJNJRPDKW-UHFFFAOYSA-N
LogP:	2.08860

Publication Number	Title	Priority Date
AU-2009265292-A1	Calcium ion channel modulators and uses thereof	20080703
CA-2729688-A1	Calcium ion channel modulators & uses thereof	20080703
EP-2303840-A2	Calcium ion channel modulators&uses thereof	20080703
JP-2011526618-A	Calcium ion channel modulator and use thereof	20080703
MX-2010014455-A	MODULATORS OF CALCIUM ION CHANNELS & ITS USES.	20080703

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Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0036207
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	223.0036207
Rotatable Bond Count:	2
Topological Polar Surface Area:	70.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1