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4-Methyl-7-nitroindoline - 95%, high purity , CAS No.179176-31-9
Discover 4-Methyl-7-nitroindoline by Aladdin Scientific in 95% for only $518.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-Methyl-7-nitroindoline | 179176-31-9 | 4-methyl-7-nitro-2,3-dihydro-1H-indole | 1H-Indole, 2,3-dihydro-4-methyl-7-nitro- | SCHEMBL8824044 | DTXSID20601497 | MFCD26743712 | AKOS022173595 | DS-3027 | SB66194 | CS-0152995 | C73408 | A881272
Specifications & Purity
≥95%
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 Secondary alkylarylamines Aralkylamines Benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroindole - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organic salt - Organonitrogen compound - 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
4-methyl-7-nitro-2,3-dihydro-1H-indole
INCHI
InChI=1S/C9H10N2O2/c1-6-2-3-8(11(12)13)9-7(6)4-5-10-9/h2-3,10H,4-5H2,1H3
InChIKey
SCFZFJRSCMUKHY-UHFFFAOYSA-N
Smiles
CC1=C2CCNC2=C(C=C1)[N+](=O)[O-]
Isomeric SMILES
CC1=C2CCNC2=C(C=C1)[N+](=O)[O-]
PubChem CID
19962038
Molecular Weight
178.19
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
178.190 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
178.074 Da
Monoisotopic Mass
178.074 Da
Topological Polar Surface Area
57.900 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
214.000
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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