名称: 2'-chloro-3,4-dimethoxybenzoin
SMILES:
COc1ccc(C(=O)C(O)c2ccccc2Cl)cc1OCMolecular Processing
Molecular formula
C16H15ClO4
Molecular weight
306.75
Exact mass
306.0659
XLogP
3.27
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
80.29
Supplementary Information
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