名称: 2-(2'-chlorophenyl)-5,5-dimethyl-1,3-cyclohexanedione
SMILES:
CC1(C)CC(=O)C(c2ccccc2Cl)C(=O)C1Molecular Processing
Molecular formula
C14H15ClO2
Molecular weight
250.72
Exact mass
250.0761
XLogP
3.38
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
67.22
Supplementary Information
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