Nombre: 1,3,5-triiodo-2-(4-methylphenyl)benzene
SMILES:
CC1=CC=C(C=C1)C2=C(C=C(C=C2I)I)IMolecular Processing
Molecular formula
C13H9I3
Molecular weight
545.93
Exact mass
545.7838
XLogP
5.48
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
94.77
Supplementary Information
InChIKey: LSGCYDKPVXYTLQ-UHFFFAOYSA-N
Sinónimos
SCHEMBL2339050LSGCYDKPVXYTLQ-UHFFFAOYSA-N2',4',6'-triiodo-4-methylbiphenyl
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