SMILES:
CCOCOC(C)(C)c1cc(Cl)c(C)cc1BrMolecular Processing
Molecular formula
C13H18BrClO2
Molecular weight
321.64
Exact mass
320.0179
XLogP
4.66
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
74.49
Supplementary Information
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