SMILES:
CCOC(=O)c1ccoc1CBrMolecular Processing
Molecular formula
C8H9BrO3
Molecular weight
233.06
Exact mass
231.9735
XLogP
2.35
TPSA
39.44
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
12
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
0.375
Molar refractivity
47.3
Supplementary Information
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