2,4-dinitrobenzenesulfonic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 26
Total Number of Articles : 20
PubChem 6959
Molecular Formula

C6H4N2O7S

SMILES

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

InChI

InChI=1S/C6H4N2O7S/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12/h1-3H,(H,13,14,15)

synonyms
  • 2,4-Dinitrobenzenesulfonic acid
  • BENZENESULFONIC ACID, 2,4-DINITRO-
  • 2,4-Dinitrobenzenesulphonic acid
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Properties
Property Value
MW 248.17 g/mol
HBD 1
HBA 7
Rotatable Bond Count 1
Exact Mass 247.97392164 g/mol
Monoisotopic Mass 247.97392164 g/mol
Heavy Atom Count 16
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 389
xlogp 0.5
Topological Polar Surface Area 154