CAS 79836-44-5

1. 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

1 2D Structure

2D Structure

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 Formula	C₁₆H₁₂Cl₂O
Molecular Weight	291.2 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	290.0265204 g/mol
Monoisotopic Mass	290.0265204 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Chemistry

6 End Use API

10 Related Intermediates

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6 Suppliers

CAS 79836-44-5