Name: 2-Bromo-3,4,5-trimethoxybenzaldehyde dimethylacetal
SMILES:
COc1cc(C(OC)OC)c(Br)c(OC)c1OCMolecular Processing
Molecular formula
C12H17BrO5
Molecular weight
321.17
Exact mass
320.0259
XLogP
2.77
TPSA
46.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
70.56
Supplementary Information
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