Name: 4,4,5,5-Tetramethyl-2-(2-methyl-3-nitro-phenyl)-[1,3,2]dioxaborolane
SMILES:
Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C13H18BNO4
Molecular weight
263.1
Exact mass
263.1329
XLogP
2.2
TPSA
61.6
H-bond donors
0
H-bond acceptors
4
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
0.538
Molar refractivity
73.55
Supplementary Information
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