938-85-2 Purity
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Specification
The molecular formula of Bis(2-chloroethyl)-d8 ether is C4H8Cl2O.
The molecular weight of Bis(2-chloroethyl)-d8 ether is 151.06 g/mol.
The IUPAC name of Bis(2-chloroethyl)-d8 ether is 1-chloro-2-(2-chloro-1,1,2,2-tetradeuterioethoxy)-1,1,2,2-tetradeuterioethane.
The InChI of Bis(2-chloroethyl)-d8 ether is InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2/i1D2,2D2,3D2,4D2.
The InChIKey of Bis(2-chloroethyl)-d8 ether is ZNSMNVMLTJELDZ-SVYQBANQSA-N.
The canonical SMILES of Bis(2-chloroethyl)-d8 ether is C(CCl)OCCCl.
The isomeric SMILES of Bis(2-chloroethyl)-d8 ether is [2H]C([2H])(C([2H])([2H])Cl)OC([2H])([2H])C([2H])([2H])Cl.
The CAS number of Bis(2-chloroethyl)-d8 ether is 93952-02-4.
The XLogP3 value of Bis(2-chloroethyl)-d8 ether is 1.3.
Yes, Bis(2-chloroethyl)-d8 ether is a canonicalized compound.