ACETAMIDE, 2-BROMO-N-(2-HYDROXY-5-NITROPHENYL)-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NU328PDK9P
EPA CompTox DTXSID5063239

Structure

InChI Key STWBNOBMOCQPLR-UHFFFAOYSA-N
Smiles Oc1c(NC(=O)CBr)cc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C8H7BrN2O4/c9-4-8(13)10-6-3-5(11(14)15)1-2-7(6)12/h1-3,12H,4H2,(H,10,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7Br1N2O4
Molecular Weight 273.96
AlogP 2.28
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 95.96
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 3947-58-8
NORMAN SUSDAT
FDA SRS NU328PDK9P
PubChem 4089912
ChemSpider 3304334.0
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