الاسم: acetal
SMILES:
CCOC(COc1cccc(Br)c1)OCCMolecular Processing
Molecular formula
C12H17BrO3
Molecular weight
289.17
Exact mass
288.0361
XLogP
3.23
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
16
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
0.5
Molar refractivity
66.68
Supplementary Information
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