1,4-Dimethoxy-2-nitrobenzene

CAT: 0127-OR937358-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR937358-01Size:1 g

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CAS Number

89-39-4

MDL Number

MFCD00024211

Purity

99%

Smiles

COc1ccc(OC)c(c1)[N+](=O)[O-]

Chemical Information

2,5-Dimethoxynitrobenzene

CAS Number	89-39-4
PubChem CID	66639
IUPAC Name	1,4-dimethoxy-2-nitrobenzene
Molecular Formula	C8H9NO4
Molecular Weight	183.16
XLogP	1.8
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	179

SMILES

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

InChI

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

InChIKey

UPTOWXNJLZJTGD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89-39-4

CID: 66639

Formula: C8H9NO4

MW: 183.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.16
XLogP3	1.8
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	179
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
OR24799	1,4-dimethoxy-2-methyl-5-nitrobenzene
OR1094358-01	1-Bromo-2,4-dimethoxy-3-nitrobenzene
OR1042416-01	1-Bromo-4,5-dimethoxy-2-nitrobenzene
OR1066946-01	1-Chloro-2,4-dimethoxy-5-nitrobenzene
OR947189-01	1,3-Dimethoxy-4-methyl-2-nitrobenzene
OR1047923-01	1- (Chloromethyl) -4,5-dimethoxy-2-nitrobenzene
OR22582	1-Chloro-2,5-dimethoxy-4-nitrobenzene
PC100048-01	1-Fluoro-4,5-dimethoxy-2-nitrobenzene
PC520686	1,3-Difluoro-2,4-dimethoxy-5-nitrobenzene
PC1006131-01	1,3-Dimethoxy-5-fluoro-2-nitrobenzene

Catalog	Name
sc-486325	1,4-Dimethoxy-2-nitrobenzene
AR-B01942-01	1,2-dimethoxy-4-nitrobenzene
D34650	1,4-Dimethoxy-2-nitrobenzene 99%
sc-222974	1,3-Dimethoxy-4-nitrobenzene
sc-297822	1-Bromo-4,5-dimethoxy-2-nitrobenzene
sc-256138	2-Fluoro-1,3-dimethoxy-4-nitrobenzene
C11293-01	1-Chloro-2,5-dimethoxy-4-nitrobenzene
229014-01	1,2-Dimethoxy-4-nitrobenzene 99+% (GC)
sc-287249	1,3-Dimethoxy-2-nitrobenzene
158733	1,3-Difluoro-2,4-dimethoxy-5-nitrobenzene