CCCCCCCCCCCCOc1c(Cl)cc(C(=O)OC)cc1Cl
名称: Methyl 3,5-dichloro-4-dodecyloxybenzoate
SMILES: CCCCCCCCCCCCOc1c(Cl)cc(C(=O)OC)cc1Cl

Molecular Processing

Molecular formula
C20H30Cl2O3
Molecular weight
389.36
Exact mass
388.1572
XLogP
7.08
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
13
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
105.14

Supplementary Information

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