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Ethane, 2-chloro-1,1-bis(2-chloroethoxy)- 2-chloro-1,1-bis(2-chloroethoxy)ethane 5409-75-6
【Name】
2-chloro-1,1-bis(2-chloroethoxy)ethane
【Iupac name】
2-chloro-1,1-bis(2-chloroethoxy)ethane
【CAS Registry number】
5409-75-6
【Synonyms】
2-Chloro-1,1-bis(2-chloroethoxy)ethane
Ethane, 2-chloro-1,1-bis(2-chloroethoxy)-
【Molecular Formula】
C6H11Cl3O2 (Products with the same molecular formula)
【Molecular Weight】
221.5093
【Inchi】
InChI=1/C6H11Cl3O2/c7-1-3-10-6(5-9)11-4-2-8/h6H,1-5H2
【Canonical SMILES】
C(CCl)OC(CCl)OCCCl
【MOL File】
5409-75-6.mol
Chemical and Physical Properties
【Density】
1.266g/cm3
【Boiling Point】
279.1°C at 760 mmHg
【Refractive Index】
1.459
【Flash Point】
107.8°C
【Computed Properties】
Molecular Weight:221.50934 [g/mol]
Molecular Formula:C6H11Cl3O2
XLogP3-AA:1.9
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:7
Exact Mass:219.982463
MonoIsotopic Mass:219.982463
Topological Polar Surface Area:18.5
Heavy Atom Count:11
Formal Charge:0
Complexity:74.2
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Effective Rotor Count:7
Conformer Sampling RMSD:0.6
CID Conformer Count:192
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