2-Methoxy-4-nitroaniline

CAT: 0024-sc-238111Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238111Size:100 g

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CAS Number

97-52-9

Chemical Information

2-Methoxy-4-nitroaniline

used as a dye in the textile and printing industries; structure in first source

CAS Number	97-52-9
PubChem CID	7337
IUPAC Name	2-methoxy-4-nitroaniline
Molecular Formula	C7H8N2O3
Molecular Weight	168.15
XLogP	1.5
Topological Polar Surface Area	81.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	169

SMILES

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

InChI

InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3

InChIKey

GVBHRNIWBGTNQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97-52-9

CID: 7337

Formula: C7H8N2O3

MW: 168.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	168.05349212
Monoisotopic Mass	168.05349212
Topological Polar Surface Area	81.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
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
sc-238880	4-Methoxy-2-nitroaniline
sc-216698	4- (Methoxy-d3) -2-nitroaniline
sc-336460	4-Methoxy-3-nitroaniline
sc-321624	2-Bromo-6-methoxy-4-nitroaniline
sc-321624A	2-Bromo-6-methoxy-4-nitroaniline
sc-290932	5-Methoxy-2-methyl-4-nitroaniline
sc-290932A	5-Methoxy-2-methyl-4-nitroaniline
sc-504177	4-Bromo-5-methoxy-2-nitroaniline
sc-357052	5-Methoxy-2-nitroaniline
sc-484391	3-Methoxy-2-nitroaniline

Catalog	Name
281557	4-Methoxy-2-nitroaniline
418581-01	2-Methoxy-4-nitroaniline
M3254-35	4- (Methoxy-d3) -2-nitroaniline
TRC-M264752-500MG	4-Methoxy-2-nitroaniline-d3
MBS6112338-01	4-(Methoxy-d3)-2-nitroaniline
M327203	4-Methoxy-3-nitroaniline
OR75038-01	3-Methoxy-4-nitroaniline
YGA31236-01	4-Bromo-5-methoxy-2-nitroaniline
432284-01	4-Fluoro-2-methoxy-5-nitroaniline
OR1100474-01	2-Chloro-6-methoxy-4-nitroaniline