COC(=O)c1cc(Br)c(O)c(O)c1Cl
SMILES: COC(=O)c1cc(Br)c(O)c(O)c1Cl

Molecular Processing

Molecular formula
C8H6BrClO4
Molecular weight
281.49
Exact mass
279.9138
XLogP
2.3
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
53.82

Supplementary Information

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