SMILES:
CC1(C)OB(c2ccc(Br)cc2C=O)OC1(C)CMolecular Processing
Molecular formula
C13H16BBrO3
Molecular weight
310.98
Exact mass
310.0376
XLogP
2.56
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
75.25
Supplementary Information
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