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2-Methoxy-1-nitronaphthalene - ≥97%, high purity , CAS No.4900-66-7

COA

Grade & Purity:

≥97%

Cas Number: 4900-66-7
Molecular Weight: 203.2
PubChem CID: 78614

In stock

Item Number

M694635

Grouped product items
SKU	Size	Availability	Price
M694635-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$188.90
M694635-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$317.90
M694635-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$927.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Nitronaphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Nitronaphthalenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitronaphthalenes
Alternative Parents	Methoxyanilines Nitroaromatic compounds Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	1-nitronaphthalene - Methoxyaniline - Nitroaromatic compound - Anisole - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
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	2-methoxy-1-nitronaphthalene
INCHI	InChI=1S/C11H9NO3/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3
InChIKey	XDNSKIDXVJNJFO-UHFFFAOYSA-N
Smiles	COC1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]
Isomeric SMILES	COC1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]
PubChem CID	78614
Molecular Weight	203.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	203.190 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	203.058 Da
Monoisotopic Mass	203.058 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	238.000
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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