CC(C)(C)OC(=O)C1CC1(Br)C(=O)OC(C)(C)C
SMILES: CC(C)(C)OC(=O)C1CC1(Br)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C13H21BrO4
Molecular weight
321.21
Exact mass
320.0623
XLogP
2.82
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
71.46

Supplementary Information

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