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2D Structure
Also known as: Sodium dichloroisocyanurate dihydrate, 51580-86-0, Dichloroisocyanuric acid sodium salt dihydrate, Troclosene sodium dihydrate, Troclosene sodium, Sodium;1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate;dihydrate
Molecular Formula
C3H4Cl2N3NaO5
Molecular Weight
255.97  g/mol
InChI Key
PYILKOIEIHHYGD-UHFFFAOYSA-M

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate;dihydrate
2.1.2 InChI
InChI=1S/C3HCl2N3O3.Na.2H2O/c4-7-1(9)6-2(10)8(5)3(7)11;;;/h(H,6,9,10);;2*1H2/q;+1;;/p-1
2.1.3 InChI Key
PYILKOIEIHHYGD-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].O.O.[Na+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Sodium Dichloroisocyanurate Dihydrate

2. 51580-86-0

3. Dichloroisocyanuric Acid Sodium Salt Dihydrate

4. Troclosene Sodium Dihydrate

5. Troclosene Sodium

6. Sodium;1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate;dihydrate

7. Dsstox_cid_9761

8. Dsstox_rid_78820

9. Dsstox_gsid_29761

10. 8027syq9x3

11. Cas-51580-86-0

12. Ec 220-767-7

13. Unii-8027syq9x3

14. 1,3,5-triazine-2,4,6-(1h,3h,5h)-trione,1,3-dichloro-,sodiumsalt,dihydrate

15. Mfcd00149404

16. 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3-dichloro-, Sodium Salt,dihydrate

17. 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3-dichloro-, Sodium Salt, Dihydrate

18. Chembl3183152

19. Tox21_201922

20. Tox21_303426

21. Sodium Dichloroisocyanurate, Dihydrate

22. Ncgc00257415-01

23. Ncgc00259471-01

24. As-83573

25. Sodium Dichlorodi-isocyanurate, Dihydrate

26. Dichloroisocyanuric Acid Sodium Salt Dihydrate, Nadcc

27. Q27269102

28. Sodium Dichloroisocyanurate Dihydrate, >=98.0% (at)

29. Sodium 1,5-dichloro-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-olate Dihydrate

2.3 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 255.97 g/mol
Molecular Formula C3H4Cl2N3NaO5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass254.9425699 g/mol
Monoisotopic Mass254.9425699 g/mol
Topological Polar Surface Area78 Ų
Heavy Atom Count14
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4