Methyl 5-Nitroindole-3-carboxylate - CAS 686747-51-3

Catalog:	BB033609
Product Name:	Methyl 5-Nitroindole-3-carboxylate
CAS:	686747-51-3
Synonyms:	5-nitro-1H-indole-3-carboxylic acid methyl ester; methyl 5-nitro-1H-indole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-nitro-1H-indole-3-carboxylate
Description:	Methyl 5-Nitroindole-3-carboxylate (CAS# 686747-51-3) is a useful research chemical.
Molecular Weight:	220.18
Molecular Formula:	C10H8N2O4
Canonical SMILES:	COC(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C10H8N2O4/c1-16-10(13)8-5-11-9-3-2-6(12(14)15)4-7(8)9/h2-5,11H,1H3
InChI Key:	MMDKJGMVXBELQV-UHFFFAOYSA-N
LogP:	2.38590

Publication Number	Title	Priority Date
WO-2021204823-A1	(1 h-indol-5-yl)acrylamide derivatives as inhibitors of tead proteins and the hippo-yap1/taz signaling cascade for the treatment of cancer	20200407
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