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2D Structure
Also known as: 2-naphthaleneacetonitrile, .beta.-naphthyleneacetonitrile, Einecs 231-352-5, Dtxsid90225942, Nsc 407556, Refchem:88655
Molecular Formula
C12H9N
Molecular Weight
167.21  g/mol
InChI Key
LPCWDVLDJVZIHA-UHFFFAOYSA-N
FDA UNII
FK3B32KF2J

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-naphthalen-2-ylacetonitrile
2.1.2 InChI
InChI=1S/C12H9N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7H2
2.1.3 InChI Key
LPCWDVLDJVZIHA-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
FK3B32KF2J
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2-naphthaleneacetonitrile

2. .beta.-naphthyleneacetonitrile

3. Einecs 231-352-5

4. Dtxsid90225942

5. Nsc 407556

6. Refchem:88655

7. Beta-naphthyleneacetonitrile

8. Dtxcid20148433

9. 231-352-5

10. Lpcwdvldjvziha-uhfffaoysa-n

11. 7498-57-9

12. 2-(naphthalen-2-yl)acetonitrile

13. 2-naphthalen-2-ylacetonitrile

14. 2-(2-naphthyl)acetonitrile

15. Mfcd00004122

16. 2-(2-naphthyl)ethanenitrile

17. Nsc-407556

18. Naphthalene-2-acetonitrile

19. 2-naphtylacetonitrile

20. 2-napthylacetonitrile

21. 2-naphthylmethylcyanide

22. 2-naphthyl-acetonitrile

23. Nsc407556

24. Naphthalen-2-yl-acetonitrile

25. Naphth-2-ylacetonitrile

26. 2-(cyanomethyl)naphthalene

27. (beta-naphthyl)acetonitrile

28. Fk3b32kf2j

29. Ac-907/25014298

30. 2-naphthylacetonitrile, 97%

31. Schembl348813

32. Schembl6648185

33. Schembl28004178

34. Schembl29448325

35. Ac-642

36. Sbb067059

37. Akos009156882

38. Cs-w017832

39. Sy015803

40. Ts-02257

41. Db-021412

42. N0874

43. Ns00037668

44. St50406760

45. En300-1168839

46. 498n579

47. F209456

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 167.21 g/mol
Molecular Formula C12H9N
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area23.8
Heavy Atom Count13
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1