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Overview of CAS 99-34-3

Client Email Product
4V3F9Q018P
PharmaCompass
  • Chemistry
4V3F9Q018P
Also known as: 99-34-3, Dinitrobenzoic acid, Dnba, Benzoic acid, 3,5-dinitro-, 3-carboxy-1,5-dinitrobenzene, 3,5-dinitro-benzoic acid
Molecular Formula
C7H4N2O6
Molecular Weight
212.117  g/mol
InChI Key
VYWYYJYRVSBHJQ-UHFFFAOYSA-N
FDA UNII
4V3F9Q018P

1 2D Structure

4V3F9Q018P

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)
2.1.2 InChI Key
VYWYYJYRVSBHJQ-UHFFFAOYSA-N
2.1.3 Canonical SMILES
C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
2.2 Other Identifiers
2.2.1 UNII
4V3F9Q018P
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 99-34-3

2. Dinitrobenzoic Acid

3. Dnba

4. Benzoic Acid, 3,5-dinitro-

5. 3-carboxy-1,5-dinitrobenzene

6. 3,5-dinitro-benzoic Acid

7. Unii-4v3f9q018p

8. Ccris 3129

9. Nsc 8732

10. Einecs 202-751-1

11. Ai3-01801

12. 3,5-dnba

13. Chembl118713

14. Chebi:73914

15. 3,5-dinitrobenzenecarboxylic Acid

16. Vywyyjyrvsbhjq-uhfffaoysa-n

17. Sbb007840

18. 3,5-dinitrobenzoic Acid, 99%

19. Pubchem14283

20. 3,5-dinitrobenzoicacid

21. Acmc-209sce

22. 3,5 Dinitrobenzoic Acid

23. Ac1q5ahz

24. Ac1l1or4

25. Ac1q72ss

26. Nciopen2_008996

27. Ksc486o5b

28. Schembl132541

29. Dinitrobenzoic-3,5 Acid

30. Dtxsid7059195

31. Ctk3i6750

32. Ks-00000cae

33. Nsc8732

34. Dinitrobenzoic Acid,3,5-

35. Molport-000-639-757

36. 4v3f9q018p

37. 57542-56-0 (silver Salt)

38. Nsc-8732

39. Str01728

40. Zinc1648205

41. Anw-41004

42. Bbl019137

43. Bdbm50405315

44. Mfcd00007253

45. Stk317801

46. Wt1912

47. 99-34-3 3,5-dinitrobenzoic Acid

48. Akos000118997

49. Ab00864

50. Ac-5972

51. Cm12706

52. Mcule-3763453759

53. Rp26662

54. Rtr-032807

55. Tra0009092

56. 3,5-dinitrobenzoic Acid, 98% 250g

57. Aj-28721

58. Ak-44162

59. An-10464

60. Bc226091

61. Br-44162

62. Kb-28866

63. Ls-37275

64. Sc-25127

65. Tl806408

66. Ab0007859

67. Ab1002664

68. St2410323

69. Tr-032807

70. Am20060766

71. Bg01519291

72. D0824

73. Ft-0614716

74. St45061376

75. St50308043

76. M-5882

77. Cs-006/03892031

78. Benzoic Acid,3,5-dinitro Mfc7 H4 N2 O6

79. I01-1421

80. W-100040

81. Z56869296

82. F9995-1665

83. 3,5-dinitrobenzoic Acid, Suitable For Photographic Applications

84. 3,5-dinitrobenzoic Acid, Standard For Quantitative Nmr, Tracecert(r)

85. 64582-71-4

86. 73881-46-6

87. Inchi=1/c7h4n2o6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3h,(h,10,11

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 212.117 g/mol
Molecular Formula C7H4N2O6
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass212.007 g/mol
Monoisotopic Mass212.007 g/mol
Topological Polar Surface Area129 A^2
Heavy Atom Count15
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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