3-Methoxy-4-nitroaniline

CAT: 0127-OR75038-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR75038-01Size:1 g

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CAS Number

16292-88-9

MDL Number

MFCD06661773

Purity

98%

Smiles

NC1=CC(OC)=C([N+]([O-])=O)C=C1

Chemical Information

3-Methoxy-4-nitroaniline

CAS Number	16292-88-9
PubChem CID	2755795
IUPAC Name	3-methoxy-4-nitroaniline
Molecular Formula	C7H8N2O3
Molecular Weight	168.15
XLogP	1.3
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)[N+](=O)[O-]

InChI

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

InChIKey

JVUHWSGOORVDML-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16292-88-9

CID: 2755795

Formula: C7H8N2O3

MW: 168.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	1.3
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
OR0934-01	4-Methoxy-3-nitroaniline
OR21578-01	4-Methoxy-2-nitroaniline
OR0045-01	2-Methoxy-4-nitroaniline
PC1004911-01	3-Fluoro-2-methoxy-4-nitroaniline
OR400689-01	4-Bromo-3-methoxy-2-nitroaniline
OR1035090-01	2-Methoxy-3-nitroaniline
OR451426-01	3-Methoxy-5-nitroaniline
OR400682-01	3-Methoxy-2-nitroaniline
OR1059430-01	4- ((3-Methyloxetan-3-yl) methoxy) -2-nitroaniline
OR400891	4-Bromo-6-iodo-3-methoxy-2-nitroaniline

Catalog	Name
M327203	4-Methoxy-3-nitroaniline
AR-B05705-01	3-Methoxy-4-nitroaniline-13C6
281557	4-Methoxy-2-nitroaniline
418581-01	2-Methoxy-4-nitroaniline
sc-313279	3-Methoxy-N-methyl-4-nitroaniline
KHD02415-01	2-Bromo-3-methoxy-4-nitroaniline
425534-01	3-Fluoro-2-methoxy-4-nitroaniline
RG-F122125-01	4-Fluoro-2-Methoxy-3-Nitroaniline
283215-01	3-Methoxy-2-nitroaniline
sc-283791	3-Methoxy-5-nitroaniline