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3-Bromo-6-methoxy-2-methyl-5-nitropyridine - ≥95%, high purity , CAS No.186413-76-3

COA

Grade & Purity:

≥95%

Cas Number: 186413-76-3
Molecular Weight: 247.05
PubChem CID: 10752988

In stock

Item Number

B725018

Grouped product items
SKU	Size	Availability	Price	Qty
B725018-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$282.90
B725018-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$861.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic 1,3-dipolar compounds
  - Class Allyl-type 1,3-dipolar organic compounds
    - Subclass Organic nitro compounds
      - Level5 C-nitro compounds
        Level6 Nitroaromatic compounds

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 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 - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organic oxide - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	5-bromo-2-methoxy-6-methyl-3-nitropyridine
INCHI	InChI=1S/C7H7BrN2O3/c1-4-5(8)3-6(10(11)12)7(9-4)13-2/h3H,1-2H3
InChIKey	VQVXYSCNTSWXJC-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C(=N1)OC)[N+](=O)[O-])Br
Isomeric SMILES	CC1=C(C=C(C(=N1)OC)[N+](=O)[O-])Br
PubChem CID	10752988
Molecular Weight	247.05

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	247.050 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	245.964 Da
Monoisotopic Mass	245.964 Da
Topological Polar Surface Area	67.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	197.000
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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