Название: 2-(8-chloro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES:
Cc1c(B2OC(C)(C)C(C)(C)O2)cc(Cl)c2c1CCCO2Molecular Processing
Molecular formula
C16H22BClO3
Molecular weight
308.61
Exact mass
308.1351
XLogP
3.27
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
85.72
Supplementary Information
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