SMILES:
COc1ccc(Br)c(C(=O)O)c1OCMolecular Processing
Molecular formula
C9H9BrO4
Molecular weight
261.07
Exact mass
259.9684
XLogP
2.16
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
54.21
Supplementary Information
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