CAS-619-73-8

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Also known as: 619-73-8, (4-nitrophenyl)methanol, P-nitrobenzyl alcohol, 4-nitrobenzenemethanol, Benzenemethanol, 4-nitro-, P-(hydroxymethyl)nitrobenzene

Molecular Formula

C₇H₇NO₃

Molecular Weight

153.14 g/mol

InChI Key

JKTYGPATCNUWKN-UHFFFAOYSA-N

FDA UNII

86BTJ68Y9M

1 2D Structure

CAS 619-73-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-nitrophenyl)methanol

2.1.2 InChI

InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2

2.1.3 InChI Key

JKTYGPATCNUWKN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CO)[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

86BTJ68Y9M

2.3 Synonyms

2.3.1 MeSH Synonyms

1. P-nitrobenzyl Alcohol

2.3.2 Depositor-Supplied Synonyms

1. 619-73-8

2. (4-nitrophenyl)methanol

3. P-nitrobenzyl Alcohol

4. 4-nitrobenzenemethanol

5. Benzenemethanol, 4-nitro-

6. P-(hydroxymethyl)nitrobenzene

7. Benzyl Alcohol, P-nitro-

8. 4-nitrobenzylalcohol

9. Paranitrobenzyl Alcohol

10. Mfcd00007376

11. Chebi:41214

12. (4-nitro-phenyl)-methanol

13. 86btj68y9m

14. 1-(hydroxymethyl)-4-nitrobenzene

15. Nsc-5389

16. Ccris 5118

17. Nsc 5389

18. Einecs 210-611-6

19. Brn 1424026

20. Unii-86btj68y9m

21. P-nitrophenylcarbinol

22. P-nitrophenylmethanol

23. 4-nitrophenylcarbinol

24. 4-nitro-benzylalcohol

25. 4-nitro-benzyl Alcohol

26. 4nba

27. (4-nitrophenyl)-methanol

28. Epitope Id:164148

29. (4-nitrophenyl)methanol #

30. Dsstox_cid_30870

31. Dsstox_gsid_52298

32. 4-06-00-02611 (beilstein Handbook Reference)

33. 4-nitrobenzyl Alcohol, 99%

34. 4-no2-c6h4ch2oh

35. Schembl114620

36. Chembl153580

37. Schembl2045837

38. Dtxsid1052298

39. Nitrobenzyl Alcohol, 4-

40. Schembl15630260

41. Nsc5389

42. Zinc157462

43. Bcp15778

44. Tox21_303773

45. 4-(hydroxymethyl)nitrobenzene

46. Stl195621

47. Akos000120684

48. Cs-w016286

49. Ps-5309

50. S12315

51. Ncgc00357065-01

52. Ac-10994

53. Cas-619-73-8

54. Sy003765

55. Db-016078

56. Am20060312

57. Ft-0619216

58. N0180

59. A833513

60. W-105065

61. Q26840765

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₇NO₃
Molecular Weight	153.14 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	153.042593085 g/mol
Monoisotopic Mass	153.042593085 g/mol
Topological Polar Surface Area	66 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	135
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