COc1ccc(Br)c(C2(C)OCCO2)c1
Name: 2-(2-bromo-5-methoxyphenyl)-2-methyl-1,3-dioxolane
SMILES: COc1ccc(Br)c(C2(C)OCCO2)c1

Molecular Processing

Molecular formula
C11H13BrO3
Molecular weight
273.13
Exact mass
272.0048
XLogP
2.68
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
59.95

Supplementary Information

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