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4,7-Methanoindene-1,8-dione, 2,3,3a,4,5,6, 7,7a-octachloro-3a,4,7,7a-tetrahydro- 5395-22-2 98%
【Name】
2,3,3a,4,5,6,7,7a-Octachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene-1,8-dione
【CAS Registry number】
5395-22-2
【Synonyms】
2,3,3a,4,5,6,7,7a-Octachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene-1,8-dione
【Molecular Formula】
C10Cl8O2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C10Cl8O2/c11-1-2(12)9(17)7(15)3(13)4(14)8(16,6(7)20)10(9,18)5(1)19
【Canonical SMILES】
C1(=C(C2(C3(C(=C(C(C3=O)(C2(C1=O)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
【MOL File】
5395-22-2.mol
Chemical and Physical Properties
【Density】
2.06g/cm3
【Boiling Point】
484°C at 760 mmHg
【Refractive Index】
1.681
【Flash Point】
203.1°C
【Computed Properties】
Molecular Weight:435.7298 [g/mol]
Molecular Formula:C10Cl8O2
XLogP3-AA:4.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:435.734751
MonoIsotopic Mass:431.740651
Topological Polar Surface Area:34.1
Heavy Atom Count:20
Formal Charge:0
Complexity:683
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.6
CID Conformer Count:8
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