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2-methyl-4-nitro-2H-indazole - 97%, high purity , CAS No.26120-44-5
Basic Description
Synonyms
2-Methyl-4-nitro-2H-indazole | 26120-44-5 | 2-Methyl-4-nitroindazole | 2H-Indazole, 2-methyl-4-nitro- | 2-methyl-4-nitro-indazole | CHEMBL2071544 | MFCD11982555 | NSC131657 | SCHEMBL4719658 | DTXSID10299625 | NCSBJAWUBPTMRX-UHFFFAOYSA-N | 2-Methyl-4-nitro-2H-indazole # | BBA1204
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
Nitroaromatic compounds Benzenoids Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Nitroaromatic compound - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-methyl-4-nitroindazole
INCHI
InChI=1S/C8H7N3O2/c1-10-5-6-7(9-10)3-2-4-8(6)11(12)13/h2-5H,1H3
InChIKey
NCSBJAWUBPTMRX-UHFFFAOYSA-N
Smiles
CN1C=C2C(=N1)C=CC=C2[N+](=O)[O-]
Isomeric SMILES
CN1C=C2C(=N1)C=CC=C2[N+](=O)[O-]
Molecular Weight
177.163
Reaxy-Rn
164272
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=164272&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
177.160 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
177.054 Da
Monoisotopic Mass
177.054 Da
Topological Polar Surface Area
63.600 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
216.000
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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