[1,1'-BIPHENYL]-4,4'-BIS(DIAZONIUM), 3,3'-DIMETHOXY-

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0066589

Structure

InChI Key QMMMCTXNYMSXLI-UHFFFAOYSA-N
Smiles COc1cc(ccc1[N+]#N)c1cc(OC)c(cc1)[N+]#N
InChI
InChI=1S/C14H12N4O2/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2/h3-8H,1-2H3/q+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12N4O2
Molecular Weight 268.09
AlogP 4.34
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 74.76
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 20282-70-6
NORMAN SUSDAT
PubChem 66685
ChemSpider 60050.0
CONTENTS