4-nitro-5-phenyl-2H-1,2,3-triazole

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 725526
Molecular Formula

C8H6N4O2

SMILES

C1=CC=C(C=C1)C2=NNN=C2[N+](=O)[O-]

InChI

InChI=1S/C8H6N4O2/c13-12(14)8-7(9-11-10-8)6-4-2-1-3-5-6/h1-5H,(H,9,10,11)

synonyms
  • 4-nitro-5-phenyl-2H-1,2,3-triazole
  • 56745-99-4
  • 4-nitro-5-phenyl-2H-triazole
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Properties
Property Value
MW 190.16 g/mol
HBD 1
HBA 4
Rotatable Bond Count 1
Exact Mass 190.04907545 g/mol
Monoisotopic Mass 190.04907545 g/mol
Heavy Atom Count 14
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 212
xlogp 1.4
Topological Polar Surface Area 87.4