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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

CAS 1010-60-2
1 2D Structure

CAS 1010-60-2

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 Weight 192.60 g/mol
Molecular Formula C10H5ClO2
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass191.9978071 g/mol
Monoisotopic Mass191.9978071 g/mol
Topological Polar Surface Area34.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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