SMILES:
CC(C)(C)c1cc(C2=Cc3ccccc3[CH]2[Hf+2][CH]2C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=Cc3ccccc32)cc(C(C)(C)C)c1.[Cl-].[Cl-]Molecular Processing
Molecular formula
C46H54Cl2Hf
Molecular weight
856.33
Exact mass
856.3068
XLogP
6.86
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
4
Heavy atoms
49
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
3
Fraction Csp3
0.391
Molar refractivity
201.79
Supplementary Information
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