Name: Ethyl phenylmethyl (2-fluoro-4-nitrophenyl)propanedioate
SMILES:
CCOC(=O)C(C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1FMolecular Processing
Molecular formula
C18H16FNO6
Molecular weight
361.33
Exact mass
361.0962
XLogP
3.12
TPSA
95.74
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
88.67
Supplementary Information
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