Name: 3-(3-bromo-4,5-dimethoxy-phenyl)-propenal
SMILES:
COc1cc(C=CC=O)cc(Br)c1OCMolecular Processing
Molecular formula
C11H11BrO3
Molecular weight
271.11
Exact mass
269.9892
XLogP
2.68
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
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
0.182
Molar refractivity
62.34
Supplementary Information
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