CAS 4752-10-7

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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

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 Formula	C₈H₄Cl₂N₂
Molecular Weight	199.03 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	197.9751535 g/mol
Monoisotopic Mass	197.9751535 g/mol
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147
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