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Also known as: 116313-85-0, 3,4-dihydroxy-5-nitrobenzaldehdye, 3-nitro-4,5-dihydroxybenzaldehyde, Benzaldehyde, 3,4-dihydroxy-5-nitro-, 3,4-dihydroxy-5-nitro benzaldehyde, 3,4-dihydroxy-5-nitro-benzaldehyde
Molecular Formula
C7H5NO5
Molecular Weight
183.12  g/mol
InChI Key
BBFJODMCHICIAA-UHFFFAOYSA-N
FDA UNII
34J6743XV2

CAS 116313-85-0
1 2D Structure

CAS 116313-85-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,4-dihydroxy-5-nitrobenzaldehyde
2.1.2 InChI
InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-3,10-11H
2.1.3 InChI Key
BBFJODMCHICIAA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=O
2.2 Other Identifiers
2.2.1 UNII
34J6743XV2
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Dhnb Compound

2.3.2 Depositor-Supplied Synonyms

1. 116313-85-0

2. 3,4-dihydroxy-5-nitrobenzaldehdye

3. 3-nitro-4,5-dihydroxybenzaldehyde

4. Benzaldehyde, 3,4-dihydroxy-5-nitro-

5. 3,4-dihydroxy-5-nitro Benzaldehyde

6. 3,4-dihydroxy-5-nitro-benzaldehyde

7. Entacapone Ep Impurity C

8. Chembl1244

9. Mfcd00871897

10. 34j6743xv2

11. 3,4-dihydroxy-5-nitrobenzaldehyde (rat)

12. Brn 3283877

13. Unii-34j6743xv2

14. Ec 441-810-8

15. 0-08-00-00261 (beilstein Handbook Reference)

16. Schembl346035

17. Zinc2779

18. 3,4-dihydroxy5-nitrobenzaldehyde

19. Dtxsid60151345

20. 3,4-dihydroxy 5-nitrobenzaldehyde

21. 3,4-dihydroxy-5-nitrobenzaidehyde

22. 3.4-dihydroxy-5-nitrobenzaldehyde

23. Bcp29689

24. 3,4-dihydroxy -5-nitrobenzaldehyde

25. 3,4-dihydroxy-5-nitrobenz-aldehyde

26. 3-nitro-4,5-dihydroxy Benzaldehyde

27. Ac-351

28. Ac1717

29. Bdbm50004043

30. Stl433372

31. Akos006343240

32. Cs-w021800

33. As-12950

34. Sy032511

35. Db-012800

36. Entacapone Impurity C [ep Impurity]

37. A2389

38. Am20020247

39. D3645

40. Ft-0659770

41. 3,4-dihydroxy-5-nitrobenzaldehyde, Aldrichcpr

42. 313d850

43. Q-102830

44. 3,4-dihydroxy-5-nitrobenzaldehyde; 3-nitro-4,5-dihydroxybenzaldehyde

45. 3,4-dihydroxy-5-nitro-benzaldehyd Pound>>dhnb Compound Pound>>entacapone Ep Impurity C

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 183.12 g/mol
Molecular Formula C7H5NO5
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass183.01677226 g/mol
Monoisotopic Mass183.01677226 g/mol
Topological Polar Surface Area103 Ų
Heavy Atom Count13
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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3,4Dihydroxy5nitro benzaldehyde

CAS Number : 116313-85-0

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About the Company : Enal Drugs Private Limited,an ISO 9001 : 2000 certified company, specializes in developing and producing anti ulcerative drugs, their intermediates, other active pharmaceutical ingredie...

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3,4-Dihydroxy-5-nitro-benzaldehyde

CAS Number : 116313-85-0

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About the Company : Maisuriya Pharma Solutions is a research-driven & technology-oriented company. Continuous innovations & improvement are the lifeblood of our business. Our major focus is to offer pharma...

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3,4-Dihydroxy -5- Nitro Benzaldehyde

CAS Number : 116313-85-0

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About the Company : Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, Storage Fine Chemical Company in India which have specialty in Synthesis Molecul...

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3-Nitro-4,5- dihydroxybenzaldehyde

CAS Number : 116313-85-0

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About the Company : Vihita Bio Chem is a rapidly growing and fully integrated company engaged in the manufacturing of drug intermediates, specialty chemicals, and fine chemicals. Strategically located in A...

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