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Also known as: 95-11-4, 5-norbornene-2-carbonitrile, 5-norbornene-2-carbonitrile, mixture of isomers, 5-norbornene-2-carbonitrile, endo-, 5-cyano-2-norbornene, 5-norbornene-2-nitrile
Molecular Formula
C8H9N
Molecular Weight
119.16  g/mol
InChI Key
BMAXQTDMWYDIJX-UHFFFAOYSA-N

CAS 95-11-4
1 2D Structure

CAS 95-11-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
bicyclo[2.2.1]hept-5-ene-2-carbonitrile
2.1.2 InChI
InChI=1S/C8H9N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-4H2
2.1.3 InChI Key
BMAXQTDMWYDIJX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2CC(C1C=C2)C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 95-11-4

2. 5-norbornene-2-carbonitrile

3. 5-norbornene-2-carbonitrile, Mixture Of Isomers

4. 5-norbornene-2-carbonitrile, Endo-

5. 5-cyano-2-norbornene

6. 5-norbornene-2-nitrile

7. 5-cyanobicyclo[2.2.1]hept-2-ene

8. Bicyclo(2.2.1)hept-5-ene-2-carbonitrile

9. 5-norbornene-2-carbonitrile (mixture Of Isomers)

10. Bicyclo(2.2.1)hept-5-ene-2-carbonitrile, Endo-

11. 30811-49-5

12. Bicyclo[2.2.1]hept-5-ene-2-carbonitrile, Homopolymer

13. Brn 3195856

14. Einecs 202-391-5

15. Nsc 46416

16. Brn 2042173

17. Endo-2-cyanobicyclo(2-2-1)hept-5-ene

18. Ai3-05928

19. 2888-90-6

20. 2-cyanonorborn-5-ene

21. 3-09-00-00300 (beilstein Handbook Reference)

22. Schembl200610

23. Wln: L55 A Cutj Fcn

24. Dtxsid20870949

25. Albb-025899

26. Mfcd00167563

27. Nsc147246

28. Akos015840943

29. Ac-4856

30. Cs-w013582

31. Nsc 147246

32. Nsc-147246

33. Endo-5-cyanobicyclo[2.2.1]hept-2-ene

34. As-19020

35. Bicyclo[2.2.1]-5-heptene-2-carbonitrile

36. Db-003040

37. Ft-0622949

38. N0897

39. D70663

40. J-517889

41. J-802153

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 119.16 g/mol
Molecular Formula C8H9N
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass119.073499291 g/mol
Monoisotopic Mass119.073499291 g/mol
Topological Polar Surface Area23.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity196
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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