N-Methyl-4-nitrobenzamide

CAT: 0127-OR962552-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR962552-01Size:1 g

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CAS Number

2585-23-1

MDL Number

MFCD01211871

Purity

98%

Smiles

CNC(=O)c1ccc(cc1)[N+](=O)[O-]

Chemical Information

N-Methyl-4-nitrobenzamide

CAS Number	2585-23-1
PubChem CID	347921
IUPAC Name	N-methyl-4-nitrobenzamide
Molecular Formula	C8H8N2O3
Molecular Weight	180.16
XLogP	1.1
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	204

SMILES

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

InChI

InChI=1S/C8H8N2O3/c1-9-8(11)6-2-4-7(5-3-6)10(12)13/h2-5H,1H3,(H,9,11)

InChIKey

UZWAQQSVGQEZRY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2585-23-1

CID: 347921

Formula: C8H8N2O3

MW: 180.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.16
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	180.05349212
Monoisotopic Mass	180.05349212
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	204
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
PC1005652-01	4-Fluoro-N-methyl-2-nitrobenzamide
OR1091900-01	N-cyclohexyl-4-methyl-3-nitrobenzamide
PC902104-01	4-Fluoro-N-methyl-3-nitrobenzamide
OR1003873-01	4-Chloro-N-methyl-3-nitrobenzamide
OR1091527	N-cyclopropyl-4-methyl-3-nitrobenzamide
OR1091904-01	N, N-diethyl-4-methyl-3-nitrobenzamide
OR912573-01	N-Methyl-3-nitrobenzamide
OR1095652	4-Methyl-3-nitrobenzamide
OR30251	3-methyl-4-nitrobenzamide
OR1003675-01	2-Methyl-4-nitrobenzamide

Catalog	Name
459349-01	N-Methyl 4-bromo-3-nitrobenzamide
QDA11020-01	2-Chloro-N-methyl-4-nitrobenzamide
418037-01	2-Fluoro-N-methyl-4-nitrobenzamide
AUA21625	4-Fluoro-N-methyl-3-nitrobenzamide
RBA26372-01	N-Methyl-4- (methylao) -3-nitrobenzamide
sc-355697	N-methyl-4- (methylamino) -3-nitrobenzamide
FM70454-01	4-Methyl-3-nitrobenzamide
sc-356620	3- (Benzyloxy) -N-methoxy-N-methyl-4-nitrobenzamide
EHA68705-01	2-Chloro-N-methoxy-N-methyl-4-nitrobenzamide
LCC31741-01	N- (3-Methyl-2-oxobutyl) -4-nitrobenzamide