Diperoxochloric Acid

Synopsis, Chemistry

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Also known as: 39k3db2n3f, 288389-48-0, Unii-39k3db2n3f, Chlorate(2-), tetraoxo(mu-(peroxy-kappao:kappao'))di-, Chlorate(2-), tetraoxo(.mu.-(peroxy-.kappa.o:.kappa.o'))di-

Molecular Formula

Cl₂O₆

Molecular Weight

166.90 g/mol

InChI Key

BDPFOCXGWACWRU-UHFFFAOYSA-N

FDA UNII

39K3DB2N3F

1 2D Structure

Diperoxochloric Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

chloryloxy chlorate

2.1.2 InChI

InChI=1S/Cl2O6/c3-1(4)7-8-2(5)6

2.1.3 InChI Key

BDPFOCXGWACWRU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

O=Cl(=O)OOCl(=O)=O

2.2 Other Identifiers

2.2.1 UNII

39K3DB2N3F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 39k3db2n3f

2. 288389-48-0

3. Unii-39k3db2n3f

4. Chlorate(2-), Tetraoxo(mu-(peroxy-kappao:kappao'))di-

5. Chlorate(2-), Tetraoxo(.mu.-(peroxy-.kappa.o:.kappa.o'))di-

2.4 Create Date

2018-12-16

3 Chemical and Physical Properties

Molecular Formula	Cl₂O₆
Molecular Weight	166.90 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	165.9071931 g/mol
Monoisotopic Mass	165.9071931 g/mol
Topological Polar Surface Area	86.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	134
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