4-nitrophenyl 4'-guanidinobenzoate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 12
Total Number of Articles : 20
PubChem 30744
Molecular Formula

C14H12N4O4

SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N

InChI

InChI=1S/C14H12N4O4/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21/h1-8H,(H4,15,16,17)

synonyms
  • 4-Nitrophenyl 4-guanidinobenzoate
  • 21658-26-4
  • 4-Nitrophenyl 4'-guanidinobenzoate
Click to show/hide the synonyms
Properties
Property Value
MW 300.27 g/mol
HBD 2
HBA 5
Rotatable Bond Count 4
Exact Mass 300.08585488 g/mol
Monoisotopic Mass 300.08585488 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 429
xlogp 1.6
Topological Polar Surface Area 137