Cc1c(COC(=O)C2C(C(OC(=O)c3ccccc3)C(Cl)(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1
名称: (2-methyl-3-phenylphenyl)methyl 2,2-dimethyl-3-(1-benzoyloxy-2,2-dichloro-3,3,3-trifluoropropyl)cyclopropanecarboxylate
SMILES: Cc1c(COC(=O)C2C(C(OC(=O)c3ccccc3)C(Cl)(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1

Molecular Processing

Molecular formula
C30H27Cl2F3O4
Molecular weight
579.44
Exact mass
578.1238
XLogP
7.94
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
143.31

Supplementary Information

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