4,5-Dimethoxy-2-nitrobenzamide

CAT: 0024-sc-352550Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-352550Size:5 g

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CAS Number

4959-60-8

Chemical Information

3,4-Dimethoxy-6-nitrobenzamide

CAS Number	4959-60-8
PubChem CID	2736193
IUPAC Name	4,5-dimethoxy-2-nitrobenzamide
Molecular Formula	C9H10N2O5
Molecular Weight	226.19
XLogP	0.6
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	278

SMILES

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

InChI

InChI=1S/C9H10N2O5/c1-15-7-3-5(9(10)12)6(11(13)14)4-8(7)16-2/h3-4H,1-2H3,(H2,10,12)

InChIKey

KSBGGQRDBYVDSC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4959-60-8

CID: 2736193

Formula: C9H10N2O5

MW: 226.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.19
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	226.05897142
Monoisotopic Mass	226.05897142
Topological Polar Surface Area	107 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	278
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-482595	2-Amino-5-nitrobenzamide
sc-233322	5-Chloro-2-nitrobenzamide
sc-265589	2-Chloro-5-nitrobenzamide
sc-308066	2-Hydroxy-5-nitrobenzamide
sc-299508A	4-Fluoro-2-nitrobenzamide
sc-232917	4-Nitrobenzamide
sc-299508	4-Fluoro-2-nitrobenzamide
sc-311070	4,4'-Dimethoxy-2,2'5,5'-tetraacetoxybiphenyl
sc-274643	2-chloro-N- (4-hydroxyphenyl) -5-nitrobenzamide
sc-238380	2,5-Dimethoxy-4-nitroaniline

Catalog	Name
TRC-D460233-500MG	4,5-Dimethoxy-2-nitrobenzamide
OR21596	3-chloro-2,6-dimethoxy-5-nitrobenzamide
FD70607-01	2,6-Dimethoxy-3-nitrobenzamide
BEA42103-01	2,4-Dichloro-5-nitrobenzamide
457796-01	N-[4-[2- (3,4-Dihydro-6,7-dimethoxy-2 (1H) -isoquinolinyl) ethyl]phenyl]-4,5-dimethoxy-2-nitrobenzamide
431089-01	4-Bromo-5-chloro-2-nitrobenzamide
PC49450-01	2-Fluoro-4-methyl-5-nitrobenzamide
OR52444-01	5-Bromo-4-chloro-2-nitrobenzamide
436825-01	5-Methoxy-2-nitrobenzamide
436513-01	5-Fluoro-2-nitrobenzamide