SMILES:
COC(=O)c1ccoc1CBrMolecular Processing
Molecular formula
C7H7BrO3
Molecular weight
219.03
Exact mass
217.9579
XLogP
1.96
TPSA
39.44
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
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
0.286
Molar refractivity
42.68
Supplementary Information
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