이름: 4-chloro-3-(trifluoromethyl)benzeneboronic acid
SMILES:
OB(O)c1ccc(Cl)c(C(F)(F)F)c1Molecular Processing
Molecular formula
C7H5BClF3O2
Molecular weight
224.37
Exact mass
224.0023
XLogP
1.04
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
46.28
Supplementary Information
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