C=CCOCC(=O)c1cc(Br)ccc1F
SMILES: C=CCOCC(=O)c1cc(Br)ccc1F

Molecular Processing

Molecular formula
C11H10BrFO2
Molecular weight
273.1
Exact mass
271.9848
XLogP
2.97
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
59.45

Supplementary Information

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