الاسم: 6-bromo-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-indole-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)n1c(B2OC(C)(C)C(C)(C)O2)cc2ccc(Br)cc21Molecular Processing
Molecular formula
C19H25BBrNO4
Molecular weight
422.13
Exact mass
421.106
XLogP
4.49
TPSA
49.69
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
106.99
Supplementary Information
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