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Also known as: 79560-19-3, 4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1(2h)-one, 4-(3,4-dichlorophenyl)-3,4-dihydro-2h-naphthalen-1-one, 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)-naphthalenone, 4-(3,4-dichloro-phenyl)-3,4-dihydro-2h-naphthalen-1-one, Rac 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)-naphthalenone
Molecular Formula
C16H12Cl2O
Molecular Weight
291.2  g/mol
InChI Key
JGMBHJNMQVKDMW-UHFFFAOYSA-N

CAS 79836-44-5
1 2D Structure

CAS 79836-44-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
2.1.2 InChI
InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2
2.1.3 InChI Key
JGMBHJNMQVKDMW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(=O)C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 79560-19-3

2. 4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1(2h)-one

3. 4-(3,4-dichlorophenyl)-3,4-dihydro-2h-naphthalen-1-one

4. 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)-naphthalenone

5. 4-(3,4-dichloro-phenyl)-3,4-dihydro-2h-naphthalen-1-one

6. Rac 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)-naphthalenone

7. 79836-44-5

8. 1(2h)-naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-

9. 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)-naphthalene-1-one

10. 4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1(2h)-one (sertraline Tetralone Derivative)

11. Sertraline Tetralone

12. Sertralone

13. 4-(3,4-dichlorophenyl)tetralin-1-one

14. Sertraline Ep Impurity F

15. Schembl260267

16. Sertraline Impurity (srtrc-3)

17. Dtxsid701208705

18. Amy17780

19. Bcp10483

20. Bcp13516

21. 4-(3,4-dichlorophenyl)-3,4-dihydro-1-(2h)-naphthalenone

22. Mfcd02093088

23. Akos015848917

24. Ac-1149

25. Cs-w019458

26. Ac-30873

27. Db-014349

28. D4766

29. Ft-0616571

30. Ft-0666607

31. Ft-0666608

32. Ft-0692308

33. 3w-0200

34. 560d193

35. A839768

36. 4-(3,4-dichlorophenyl)-3,4-dihydro-1-napthalenone

37. J-513352

38. 4-(3,4-dichlorophenyl)-3,4-dihydro-1-naphthalenone

39. 4-(3,4-dichloro-phenyl)3,4-dihydro-2h-naphthalen-1-one

40. (+/-)-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)-naphthalenone

41. 4-(3',4'-dichlorophenyl)-3,4-dihydro-1-(2h)-naphthalenone

42. 4-(3',4'-dichlorophenyl)-3,4-dihydro-1-(2h)-naphthalone

43. 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-one

44. 4-(3,4-dichlorophenyl)-3, 4-dihydro-1-(2h)-naphthalenone

45. 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)-naphthalene-1one

46. (+/-) -4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)-naphthalenone

47. Rac 4-(3',4'-dichlorophenyl)-3,4-dihydro-2h-naphthalen-1-one

48. Sertraline Tetralone Impurity;(r)-4-(3,4-dichlorophenyl)-1-tetralone;(4r)-(3',4'-dichlorophenyl)-3,4-dihydro-2h-naphthalen-1-one

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 291.2 g/mol
Molecular Formula C16H12Cl2O
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass290.0265204 g/mol
Monoisotopic Mass290.0265204 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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