COC(=O)C(C)(OCC(=O)c1cccc(Br)c1)C(F)(F)F
SMILES: COC(=O)C(C)(OCC(=O)c1cccc(Br)c1)C(F)(F)F

Molecular Processing

Molecular formula
C13H12BrF3O4
Molecular weight
369.13
Exact mass
367.9871
XLogP
3.14
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
70.9

Supplementary Information

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