名称: 83.2C
SMILES:
COC(=O)c1cc(Br)c(OC2CCCCO2)cc1FMolecular Processing
Molecular formula
C13H14BrFO4
Molecular weight
333.15
Exact mass
332.0059
XLogP
3.28
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
69.66
Supplementary Information
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