ACETAMIDE, N-(2,4-DIMETHYL-3-NITROPHENYL)-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5BS5Y3MPH6
EPA CompTox DTXSID4068161

Structure

InChI Key UCPGMSZAKZKWRS-UHFFFAOYSA-N
Smiles CC(=O)Nc1c(C)c(c(C)cc1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O3/c1-6-4-5-9(11-8(3)13)7(2)10(6)12(14)15/h4-5H,1-3H3,(H,11,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N2O3
Molecular Weight 208.08
AlogP 2.82
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 75.73
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 39182-88-2
NORMAN SUSDAT
FDA SRS 5BS5Y3MPH6
PubChem 170166
ChemSpider 148790.0
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