Name: tBuBrettPhos Pd G3
SMILES:
COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.CS(=O)(=O)[O-].Nc1ccccc1-c1[c-]cccc1.[Pd+2]Molecular Processing
Molecular formula
C44H62NO5PPdS
Molecular weight
854.44
Exact mass
853.3121
XLogP
11.34
TPSA
101.68
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
53
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
4
Fraction Csp3
0.455
Molar refractivity
224.06
Supplementary Information
Details werden geladen…
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