Nombre: ethyl-3-nitrobiphenyl-4-carbonyl chloride
SMILES:
CCc1c(I)c(CC)c(I)c(-c2ccc(C(=O)Cl)c([N+](=O)[O-])c2)c1IMolecular Processing
Molecular formula
C17H13ClI3NO3
Molecular weight
695.46
Exact mass
694.7718
XLogP
6.58
TPSA
60.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
125.62
Supplementary Information
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