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2'-Methyl-3'-nitroacetanilide

CAT: 0127-OR923868-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR923868-01Size:1 g
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CAS Number
56207-36-4
MDL Number
MFCD01047363
Purity
98%
Smiles
CC(=O)Nc1cccc(c1C)[N+](=O)[O-]

Chemical Information

Acetamide, N-(2-methyl-3-nitrophenyl)-
CAS Number56207-36-4
PubChem CID151316
IUPAC NameN-(2-methyl-3-nitrophenyl)acetamide
Molecular FormulaC9H10N2O3
Molecular Weight194.19
XLogP1
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity237
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C9H10N2O3/c1-6-8(10-7(2)12)4-3-5-9(6)11(13)14/h3-5H,1-2H3,(H,10,12)
InChIKey
NMYFXIITWKKOKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetamide, N-(2-methyl-3-nitrophenyl)-
CAS: 56207-36-4
CID: 151316
Formula: C9H10N2O3
MW: 194.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.19
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass194.06914219
Monoisotopic Mass194.06914219
Topological Polar Surface Area74.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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