이름: 2-phenyl-7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-4-trifluoromethyl-quinoline
SMILES:
CC1(C)OB(c2ccc3c(C(F)(F)F)cc(-c4ccccc4)nc3c2)OC1(C)CMolecular Processing
Molecular formula
C22H21BF3NO2
Molecular weight
399.22
Exact mass
399.1617
XLogP
5.22
TPSA
31.35
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
107.9
Supplementary Information
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