Название: 6-tert-butyl-1,2,3,4,9,9-hexachloro-1,4,4a,8a-tetrahydro-1,4-methanonaphthalene-5,8-dione
SMILES:
CC(C)(C)C1=CC(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)ClMolecular Processing
Molecular formula
C15H12Cl6O2
Molecular weight
436.98
Exact mass
433.8968
XLogP
5.19
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
23
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
94.87
Supplementary Information
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