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20614-22-6 | Ethanol, 1,1'-dioxybis[2,2,2-trichloro-
CAS No: 20614-22-6 Catalog No: AG002AJL MDL No:
Product Description
Catalog Number:
AG002AJL
Chemical Name:
Ethanol, 1,1'-dioxybis[2,2,2-trichloro-
CAS Number:
20614-22-6
Molecular Formula:
C4H4Cl6O4
Molecular Weight:
328.7902
IUPAC Name:
2,2,2-trichloro-1-(2,2,2-trichloro-1-hydroxyethyl)peroxyethanol
InChI:
InChI=1S/C4H4Cl6O4/c5-3(6,7)1(11)13-14-2(12)4(8,9)10/h1-2,11-12H
InChI Key:
NTDDOSRDCDIWOT-UHFFFAOYSA-N
SMILES:
OC(C(Cl)(Cl)Cl)OOC(C(Cl)(Cl)Cl)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.821g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.772g/mol
Monoisotopic Mass:
325.824g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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