benzotriazole

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 90
Total Number of Articles : 91
PubChem 7220
Molecular Formula

C6H5N3

SMILES

C1=CC2=NNN=C2C=C1

InChI

InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)

synonyms
  • 1H-Benzotriazole
  • Benzotriazole
  • 95-14-7
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Properties
Property Value
MW 119.12 g/mol
HBD 1
HBA 2
Rotatable Bond Count 0
Exact Mass 119.048347172 g/mol
Monoisotopic Mass 119.048347172 g/mol
Heavy Atom Count 9
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 92.5
xlogp 1
Topological Polar Surface Area 41.6