Name: 2,2′,5′-trichloro-5-iodo-4-methoxy-1,1′-biphenyl
SMILES:
COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1IMolecular Processing
Molecular formula
C13H8Cl3IO
Molecular weight
413.47
Exact mass
411.8685
XLogP
5.93
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
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
0.077
Molar refractivity
86.18
Supplementary Information
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