Название: diethyl (3-nitrobenzyl)phosphonate
SMILES:
CCOP(=O)(Cc1cccc([N+](=O)[O-])c1)OCCMolecular Processing
Molecular formula
C11H16NO5P
Molecular weight
273.23
Exact mass
273.0766
XLogP
3.36
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
67.66
Supplementary Information
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