CC1(C)OC[C@H](COc2ccc(Br)c(C(F)(F)F)c2)O1
名称: (S)-4-((4-bromo-3-(trifluoromethyl)phenoxy)methyl)-2,2-dimethyl-1,3-dioxolane
SMILES: CC1(C)OC[C@H](COc2ccc(Br)c(C(F)(F)F)c2)O1

Molecular Processing

Molecular formula
C13H14BrF3O3
Molecular weight
355.15
Exact mass
354.0078
XLogP
4
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
69.54

Supplementary Information

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