4msn

Chemistry

Chemistry

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Also known as: 607-35-2, Quinoline, 8-nitro-, 8-nitro-quinoline, 8-nitroqunioline, Mfcd00006806, Ywo6s88v4v

Molecular Formula

C₉H₆N₂O₂

Molecular Weight

174.16 g/mol

InChI Key

OQHHSGRZCKGLCY-UHFFFAOYSA-N

FDA UNII

YWO6S88V4V

1 2D Structure

4msn

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-nitroquinoline

2.1.2 InChI

InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H

2.1.3 InChI Key

OQHHSGRZCKGLCY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2

2.2 Other Identifiers

2.2.1 UNII

YWO6S88V4V

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 607-35-2

2. Quinoline, 8-nitro-

3. 8-nitro-quinoline

4. 8-nitroqunioline

5. Mfcd00006806

6. Ywo6s88v4v

7. Chembl167727

8. Nsc-346

9. Ccris 457

10. Hsdb 5092

11. Nsc 346

12. Einecs 210-135-9

13. Unii-ywo6s88v4v

14. Brn 0135178

15. Ai3-08912

16. Nsc346

17. 4msn

18. Gilstone - Yellow

19. Dsstox_cid_985

20. 8-nitro Quinoline

21. 8-nitroquinoline, 98%

22. Dsstox_rid_75907

23. Dsstox_gsid_20985

24. Wln: T66 Bnj Jnw

25. Schembl949962

26. 8-nitroquinoline [hsdb]

27. Dtxsid6020985

28. Zinc334909

29. Act05937

30. Amy23310

31. Bcp18535

32. Tox21_200683

33. Bdbm50532274

34. Stk801629

35. Akos000277126

36. Ac-2532

37. Cs-w007962

38. Sb67567

39. Ncgc00248797-01

40. Ncgc00248797-02

41. Ncgc00258237-01

42. As-17301

43. Cas-607-35-2

44. Sy001853

45. Db-031637

46. Ft-0621571

47. N0345

48. A26303

49. I11489

50. Ab00443675-03

51. 607n352

52. Aj-333/25006054

53. Q270157

54. W-105230

55. W-203269

56. F1716-0337

57. 2zq

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₆N₂O₂
Molecular Weight	174.16 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	174.042927438 g/mol
Monoisotopic Mass	174.042927438 g/mol
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202
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

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