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2D Structure
Also known as: Tricloryl, 7246-20-0, Triclos, Sodium triclofos, Sch 10159, Triclofos monosodium salt
Molecular Formula
C2H3Cl3NaO4P
Molecular Weight
251.36  g/mol
InChI Key
WFKJEZKHPGDCRK-UHFFFAOYSA-M
FDA UNII
9F90KA5Q8U

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2,2,2-trichloroethyl hydrogen phosphate
2.1.2 InChI
InChI=1S/C2H4Cl3O4P.Na/c3-2(4,5)1-9-10(6,7)8;/h1H2,(H2,6,7,8);/q;+1/p-1
2.1.3 InChI Key
WFKJEZKHPGDCRK-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C(C(Cl)(Cl)Cl)OP(=O)(O)[O-].[Na+]
2.2 Other Identifiers
2.2.1 UNII
9F90KA5Q8U
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Tricloryl

2. 7246-20-0

3. Triclos

4. Sodium Triclofos

5. Sch 10159

6. Triclofos Monosodium Salt

7. 9f90ka5q8u

8. Sodium;2,2,2-trichloroethyl Hydrogen Phosphate

9. Sch-10159

10. 2,2,2-trichloroethanol Dihydrogen Phosphate Monosodium Salt

11. Ethanol, 2,2,2-trichloro-, Dihydrogen Phosphate Monosodium Salt

12. Sodium 2,2,2-trichloroethyl Hydrogen Phosphate

13. Unii-9f90ka5q8u

14. Triclofos Sodium [usan:jan]

15. Trichlofos Sodium

16. Trichlorethyl Phosphate Monosodium

17. Tricloryl (tn)

18. Einecs 230-652-3

19. Triclofos Sodium [jan]

20. Schembl8970300

21. Triclofos Sodium [usan]

22. 2,2,2-trichloroethanol Dihydrogen Phosphate Sodium Salt

23. Chembl1200789

24. Triclofos Sodium (jp17/usan)

25. Dtxsid60993262

26. Triclofos Sodium [mart.]

27. Triclofos Sodium [who-dd]

28. Ethanol, 2,2,2-trichloro-, Dihydrogen Phosphate, Monosodium Salt

29. Trichloroethyl Phosphate Sodium

30. Triclofos Monosodium Salt [mi]

31. Triclofos Sodium [orange Book]

32. D00388

33. Q27272482

34. Ethanol, 2,2,2-trichloro-, Dihydrogen Phosphate, Sodium Salt

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 251.36 g/mol
Molecular Formula C2H3Cl3NaO4P
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass249.873223 g/mol
Monoisotopic Mass249.873223 g/mol
Topological Polar Surface Area69.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2