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6-nitro-2,3-dihydro-1H-indol-2-one - 97%, high purity , CAS No.474799-41-2
Discover 6-nitro-2,3-dihydro-1H-indol-2-one by Aladdin Scientific in 97% for only $166.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
6-Nitroindolin-2-one | 474799-41-2 | 6-NITRO-1,3-DIHYDRO-INDOL-2-ONE | 6-Nitrooxindole | 6-nitro-2,3-dihydro-1H-indol-2-one | 6-NITRO-1,3-DIHYDROINDOL-2-ONE | MFCD09835636 | 6-Nitro-1,3-dihydro-2H-indol-2-one | 2H-Indol-2-one, 1,3-dihydro-6-nitro- | 6-nitrooxidole | SCHEMBL2
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolines
Intermediate Tree Nodes
Not available
Direct Parent
Indolines
Alternative Parents
Nitroaromatic compounds Benzenoids Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroindole - Nitroaromatic compound - Benzenoid - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
6-nitro-1,3-dihydroindol-2-one
INCHI
InChI=1S/C8H6N2O3/c11-8-3-5-1-2-6(10(12)13)4-7(5)9-8/h1-2,4H,3H2,(H,9,11)
InChIKey
WYCVARGVMCGNMC-UHFFFAOYSA-N
Smiles
C1C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O
Isomeric SMILES
C1C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O
Molecular Weight
178.147
Reaxy-Rn
158240
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=158240&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
178.140 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
178.038 Da
Monoisotopic Mass
178.038 Da
Topological Polar Surface Area
74.900 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
248.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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