이름: diethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate
SMILES:
CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OCC)c1Molecular Processing
Molecular formula
C18H25BO6
Molecular weight
348.2
Exact mass
348.1744
XLogP
2.34
TPSA
71.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
94.07
Supplementary Information
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