CC(=O)OCC1OC(Br)C(Cl)C1OC(C)=O
SMILES: CC(=O)OCC1OC(Br)C(Cl)C1OC(C)=O

Molecular Processing

Molecular formula
C9H12BrClO5
Molecular weight
315.55
Exact mass
313.9557
XLogP
1.21
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
59.42

Supplementary Information

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