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Also known as: 4752-10-7, Phthalazine, 1,4-dichloro-, 1,4-dichloro-phthalazine, 0ow60266ko, Mfcd00006909, Ccris 6799
Molecular Formula
C8H4Cl2N2
Molecular Weight
199.03  g/mol
InChI Key
ODCNAEMHGMYADO-UHFFFAOYSA-N
FDA UNII
0OW60266KO

CAS 4752-10-7
1 2D Structure

CAS 4752-10-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4-dichlorophthalazine
2.1.2 InChI
InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H
2.1.3 InChI Key
ODCNAEMHGMYADO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=NN=C2Cl)Cl
2.2 Other Identifiers
2.2.1 UNII
0OW60266KO
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4752-10-7

2. Phthalazine, 1,4-dichloro-

3. 1,4-dichloro-phthalazine

4. 0ow60266ko

5. Mfcd00006909

6. Ccris 6799

7. 1,4-dichlorophtalazine

8. Dichlorophthalazine

9. Einecs 225-275-6

10. 1,4-dichloropthalazine

11. 1,4-dichorophthalazine

12. 1,4 Dichlorophthalazine

13. 1.4-dichlorophthalazine

14. Dsstox_cid_29162

15. Dsstox_rid_83381

16. Dsstox_gsid_49306

17. Schembl345211

18. Unii-0ow60266ko

19. 1,4-dichlorophthalazine, 95%

20. Chembl3185198

21. Dtxsid1049306

22. Zinc39640

23. Act09269

24. Bcp27059

25. Tox21_202959

26. Stl368740

27. Akos002665045

28. Ac-5102

29. Cs-w010520

30. Sb10525

31. Ncgc00260505-01

32. As-11330

33. Sy007673

34. Cas-4752-10-7

35. Db-005642

36. Am20050450

37. Bb 0258785

38. D3749

39. Ft-0635427

40. 752d107

41. W-106070

42. Q27237051

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 199.03 g/mol
Molecular Formula C8H4Cl2N2
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass197.9751535 g/mol
Monoisotopic Mass197.9751535 g/mol
Topological Polar Surface Area25.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
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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