2,6-Dimethoxynitrobenzene

CAT: 0127-OR25755-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR25755-01Size:250 mg

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CAS Number

6665-97-0

MDL Number

MFCD00474587

Purity

98%

Smiles

COc1cccc(OC)c1[N+](=O)[O-]

Chemical Information

1,3-Dimethoxy-2-nitrobenzene

CAS Number	6665-97-0
PubChem CID	324784
IUPAC Name	1,3-dimethoxy-2-nitrobenzene
Molecular Formula	C8H9NO4
Molecular Weight	183.16
XLogP	1.3
Topological Polar Surface Area	64.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	167

SMILES

COC1=C(C(=CC=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C8H9NO4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3

InChIKey

MVBXGGHFJZBKFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6665-97-0

CID: 324784

Formula: C8H9NO4

MW: 183.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.16
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	183.05315777
Monoisotopic Mass	183.05315777
Topological Polar Surface Area	64.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR3561-01	2,4-Dimethoxynitrobenzene
OR24924-01	3,4-Dimethoxynitrobenzene
PC500717	5-Bromo-3-fluoro-2,4-dimethoxynitrobenzene
OR1026256-01	6,6''-Dibromo-2,2':6',2''-Terpyridine
OR1062063-01	[2,2':6',2''-Terpyridine]-6,6''-dicarbonitrile
OR30412-01	2,2,6,6-Tetramethylpiperidine
OR73611-01	2,2,6,6-Tetramethylmorpholine
OR1074306-01	2,2':6',2'':6'',2'''-Quaterpyridine
OR1072848-01	[2,2':6',2''-Terpyridine]-6,6''-dicarboxylic acid
OR1002767-01	2,2,6,6-Tetramethylpiperidine hydrobromide

Catalog	Name
sc-485163	4-Chloro-2,5-dimethoxynitrobenzene
sc-227106	6,6''-Dibromo-2,2':6',2''-terpyridine
FT00342-01	2,2,6,6-Tetramethylpiperidine
sc-343346	2,2,6,6-tetrafluoromorpholine
2564-83-2-01	2,2,6,6-Tetramethylpiperidinooxy
FT66889-01	2,2',6,6'-Tetramethylbenzophenone
UAA15169-01	2,2,6,6-Tetramethylmorpholine
FM157041-01	6-Methyl-2,2':6',2''-terpyridine
JH918102	6-Chloro-[2,2';6',2'']terpyridine
CS-T-94279	Piperidine-2,2,6,6-d4