CC1(C)C(C=C(Cl)Cl)C1C(=O)Cl
SMILES: CC1(C)C(C=C(Cl)Cl)C1C(=O)Cl

Molecular Processing

Molecular formula
C8H9Cl3O
Molecular weight
227.52
Exact mass
225.9719
XLogP
3.34
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
51.41

Supplementary Information

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