Name: 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILES:
CC1(C)OB(c2ccc(C(N)=O)c(Cl)c2)OC1(C)CMolecular Processing
Molecular formula
C13H17BClNO3
Molecular weight
281.55
Exact mass
281.099
XLogP
1.74
TPSA
61.55
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
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
75.69
Supplementary Information
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