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2-Methanesulfonyl-3-nitropyridine - 98%, high purity , CAS No.56825-29-7
Discover 2-Methanesulfonyl-3-nitropyridine by Aladdin Scientific in 98% for only $474.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-(methylsulfonyl)-3-nitropyridine | 56825-29-7 | 2-methanesulfonyl-3-nitropyridine | 2-methylsulfonyl-3-nitropyridine | MFCD16140367 | DTXSID80481671 | AC6375 | AKOS005072295 | CE-0737 | SY237457 | CS-0081762 | FT-0681866 | A869837 | J-506472
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Pyridines and derivatives Sulfones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Pyridine - Sulfone - Sulfonyl - Heteroaromatic compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
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
2-methylsulfonyl-3-nitropyridine
INCHI
InChI=1S/C6H6N2O4S/c1-13(11,12)6-5(8(9)10)3-2-4-7-6/h2-4H,1H3
InChIKey
STJMXSFTAWNECC-UHFFFAOYSA-N
Smiles
CS(=O)(=O)C1=C(C=CC=N1)[N+](=O)[O-]
Isomeric SMILES
CS(=O)(=O)C1=C(C=CC=N1)[N+](=O)[O-]
Molecular Weight
202.2
Reaxy-Rn
1460323
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1460323&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
202.190 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
202.005 Da
Monoisotopic Mass
202.005 Da
Topological Polar Surface Area
101.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
289.000
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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