2-Methyl-4-nitroacetanilide

CAT: 0127-OR0635Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR0635Size:1 Each

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CAS Number

2719-15-5

MDL Number

MFCD00033896

Purity

=95%

Smiles

CC(=O)Nc1ccc(cc1C)[N+](=O)[O-]

Chemical Information

Acetamide, N-(2-methyl-4-nitrophenyl)-

N1-(2-methyl-4-nitrophenyl)acetamide is an anilide and a member of acetamides.

CAS Number	2719-15-5
PubChem CID	75936
IUPAC Name	N-(2-methyl-4-nitrophenyl)acetamide
Molecular Formula	C9H10N2O3
Molecular Weight	194.19
XLogP	1.2
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	237

SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C9H10N2O3/c1-6-5-8(11(13)14)3-4-9(6)10-7(2)12/h3-5H,1-2H3,(H,10,12)

InChIKey

JZEOVPGWIWSSAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2719-15-5

CID: 75936

Formula: C9H10N2O3

MW: 194.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.19
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	194.06914219
Monoisotopic Mass	194.06914219
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	237
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
OR1098355	4-Methyl-2-nitroacetanilide
OR6637-01	4'-Methyl-3'-nitroacetanilide
OR0061	3-Methyl-4-nitroacetanilide
OR923868-01	2'-Methyl-3'-nitroacetanilide
OR4704-01	4'-Nitroacetanilide
OR470179	2- (2-Chloroethoxy) -4'-nitroacetanilide
PC3852	4'-Fluoro-2'-nitroacetanilide
OR310363-01	4'-Formyl-2'-nitroacetanilide
OR470043	2- (2-Hydroxyethylamino) -4'-nitroacetanilide
PC8186	4',5'-Difluoro-2'-nitroacetanilide