CAS 95-11-4

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BUILDING BLOCK

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6 Related Intermediates

Chemistry

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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

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 Formula	C₈H₉N
Molecular Weight	119.16 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	119.073499291 g/mol
Monoisotopic Mass	119.073499291 g/mol
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	196
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1