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5-Bromo-2-ethoxy-4-methyl-3-nitropyridine - 98%, high purity , CAS No.1215206-58-8
Basic Description
Synonyms
5-BROMO-2-ETHOXY-4-METHYL-3-NITROPYRIDINE | 1215206-58-8 | 5-Bromo-2-ethoxy-3-nitro-4-picoline | DTXSID70682418 | MFCD15143620 | AKOS015833880 | BS-21010 | CS-0212638 | Pyridine, 5-bromo-2-ethoxy-4-methyl-3-nitro-
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
Methylpyridines Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Alkyl aryl ether - Methylpyridine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic salt - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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
5-bromo-2-ethoxy-4-methyl-3-nitropyridine
INCHI
InChI=1S/C8H9BrN2O3/c1-3-14-8-7(11(12)13)5(2)6(9)4-10-8/h4H,3H2,1-2H3
InChIKey
IVUKVYJBQLXLKD-UHFFFAOYSA-N
Smiles
CCOC1=NC=C(C(=C1[N+](=O)[O-])C)Br
Isomeric SMILES
CCOC1=NC=C(C(=C1[N+](=O)[O-])C)Br
PubChem CID
53217375
Molecular Weight
261.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
261.070 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
259.98 Da
Monoisotopic Mass
259.98 Da
Topological Polar Surface Area
67.900 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
209.000
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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