Methyl 6-Nitroindole-3-carboxylate - CAS 109175-09-9

Catalog:	BB002387
Product Name:	Methyl 6-Nitroindole-3-carboxylate
CAS:	109175-09-9
Synonyms:	6-nitro-1H-indole-3-carboxylic acid methyl ester; methyl 6-nitro-1H-indole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 6-nitro-1H-indole-3-carboxylate
Description:	Methyl 6-Nitroindole-3-carboxylate (CAS# 109175-09-9) is a useful research chemical.
Molecular Weight:	220.18
Molecular Formula:	C10H8N2O4
Canonical SMILES:	COC(=O)C1=CNC2=C1C=CC(=C2)[N+](=O)[O-]
InChI:	InChI=1S/C10H8N2O4/c1-16-10(13)8-5-11-9-4-6(12(14)15)2-3-7(8)9/h2-5,11H,1H3
InChI Key:	RUUDKWNUIUBVTH-UHFFFAOYSA-N
LogP:	2.38590

Publication Number	Title	Priority Date
WO-2017153952-A1	5-sulfamoyl-2-hydroxybenzamide derivatives	20160310
CA-2681124-A1	New substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions	20070316
DE-102007012284-A1	Novel substituted arylsulfonylglycines, their preparation and their use as pharmaceuticals	20070316
EP-2125718-A2	New substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions	20070316
EP-2125718-B1	New substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions	20070316

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Complexity:	302
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.04840674
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.04840674
Rotatable Bond Count:	2
Topological Polar Surface Area:	87.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4