Name: 6-chloro-5-hydroxy-2,2-dimethyl-benzofuran-3-one
SMILES:
CC1(C)Oc2cc(Cl)c(O)cc2C1=OMolecular Processing
Molecular formula
C10H9ClO3
Molecular weight
212.63
Exact mass
212.024
XLogP
2.4
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
52.15
Supplementary Information
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