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Chemistry

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Also known as: 1010-60-2, 2-chloronaphthalene-1,4-dione, 2-chloronaphthoquinone, 1,4-naphthalenedione, 2-chloro-, 2-chloro-1,4-naphthalenedione, Nsc 400597

Molecular Formula

C₁₀H₅ClO₂

Molecular Weight

192.60 g/mol

InChI Key

CCTJHVLTAJTPBV-UHFFFAOYSA-N

FDA UNII

FOF3PSJ59Z

1 2D Structure

2-Chloro-1,4-Naphthoquinone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloronaphthalene-1,4-dione

2.1.2 InChI

InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H

2.1.3 InChI Key

CCTJHVLTAJTPBV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=O)C=C(C2=O)Cl

2.2 Other Identifiers

2.2.1 UNII

FOF3PSJ59Z

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Chloro-k3

2.3.2 Depositor-Supplied Synonyms

1. 1010-60-2

2. 2-chloronaphthalene-1,4-dione

3. 2-chloronaphthoquinone

4. 1,4-naphthalenedione, 2-chloro-

5. 2-chloro-1,4-naphthalenedione

6. Nsc 400597

7. 1,4-naphthoquinone, 2-chloro-

8. Fof3psj59z

9. Chebi:28160

10. Mfcd00029187

11. Nsc-400597

12. 2-chloronaphthalene-1,4-dione (2-chloro-1,4-naphthoquinone)

13. Einecs 213-776-2

14. Unii-fof3psj59z

15. Brn 1867045

16. Chloronaphthoquinone

17. 2-chlor-1,4-naphthochinon

18. 2-chloro-1,4-naphthquinone

19. 4-07-00-02425 (beilstein Handbook Reference)

20. Schembl917548

21. Chembl349147

22. Wln: L66 Bv Evj Cg

23. 2-chloro-[1,4]naphthoquinone

24. Dtxsid00143623

25. 2-chloranylnaphthalene-1,4-dione

26. Zinc901831

27. Fd7245

28. Nsc400597

29. Akos006343761

30. Am84303

31. Gs-3324

32. Ac-15235

33. Sy051032

34. Hy-115243

35. 2-chloro-1,4-dihydronaphthalene-1,4-dione

36. Cs-0034824

37. Ft-0611685

38. Ft-0695969

39. C03753

40. 010c602

41. A800322

42. W-108929

43. Q27103536

44. 96843-34-4

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₅ClO₂
Molecular Weight	192.60 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	191.9978071 g/mol
Monoisotopic Mass	191.9978071 g/mol
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	293
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

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