Methyl 4,7-Dichloroindole-3-carboxylate - CAS 1268052-18-1

Catalog:	BB006666
Product Name:	Methyl 4,7-Dichloroindole-3-carboxylate
CAS:	1268052-18-1
Synonyms:	4,7-dichloro-1H-indole-3-carboxylic acid methyl ester; methyl 4,7-dichloro-1H-indole-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4,7-dichloro-1H-indole-3-carboxylate
Description:	Methyl 4,7-Dichloroindole-3-carboxylate (CAS# 1268052-18-1 ) is a useful research chemical.
Molecular Weight:	244.07
Molecular Formula:	C10H7Cl2NO2
Canonical SMILES:	COC(=O)C1=CNC2=C(C=CC(=C12)Cl)Cl
InChI:	InChI=1S/C10H7Cl2NO2/c1-15-10(14)5-4-13-9-7(12)3-2-6(11)8(5)9/h2-4,13H,1H3
InChI Key:	XQUJJJGOKFKDED-UHFFFAOYSA-N
LogP:	3.26130

Publication Number	Title	Priority Date
FR-2955324-A1	DISUBSTITUTED 4- (5-AMINOMETHYL-PHENYL) -PIPERIDIN-1-YL] -1H-INDOL-3-YL] -METHANONES	20100115
AU-2010284264-A1	Disubstituted [4-(5-aminomethyl-phenyl)-piperidin-1-yl]-1H-indol-3-yl] -methanones	20090820
CA-2770766-A1	Disubstituted [4-(5-aminomethyl-phenyl)-piperidin-1-yl]-1h-indol-3-yl]-methanones	20090820
CA-2770766-C	Disubstituted [4-(5-aminomethyl-phenyl)-piperidin-1-yl]-1h-indol-3-yl]-methanones	20090820
EP-2480232-B1	Disubstituted ]4-(5-aminomethyl-phenyl)-piperidin-1-yl]-1h-indol-3-yl]-methanones	20090820

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Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.9853839
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.9853839
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2