Name: 3′-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile
SMILES:
CC1(C)OB(c2cccc(-c3ccccc3C#N)c2)OC1(C)CMolecular Processing
Molecular formula
C19H20BNO2
Molecular weight
305.19
Exact mass
305.1587
XLogP
3.52
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
92.31
Supplementary Information
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