名称: (R)-Methyl o-chloromandelate
SMILES:
COC(=O)[C@H](O)c1ccccc1ClMolecular Processing
Molecular formula
C9H9ClO3
Molecular weight
200.62
Exact mass
200.024
XLogP
1.55
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
48.43
Supplementary Information
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