CCCCC(=O)OCC(Cl)(Cl)Cl
名称: trichloroethyl valerate
SMILES: CCCCC(=O)OCC(Cl)(Cl)Cl

Molecular Processing

Molecular formula
C7H11Cl3O2
Molecular weight
233.52
Exact mass
231.9825
XLogP
3.09
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
50.77

Supplementary Information

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