Name: o-nitrophenyl benzoate
SMILES:
O=C(Oc1ccccc1[N+](=O)[O-])c1ccccc1Molecular Processing
Molecular formula
C13H9NO4
Molecular weight
243.22
Exact mass
243.0532
XLogP
2.81
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
64.5
Supplementary Information
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