CC(O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl
Name: 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanol
SMILES: CC(O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl

Molecular Processing

Molecular formula
C14H20BClO3
Molecular weight
282.58
Exact mass
282.1194
XLogP
2.69
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
77.8

Supplementary Information

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