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CHEMISTRY

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Chemistry

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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

7498-57-9

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 Formula	C₁₂H₉N
Molecular Weight	167.21 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	23.8
Heavy Atom Count	13
Formal Charge	0
Complexity	212
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