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Chemistry

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Also known as: 610-27-5, 5-nitrophthalic acid, 4-nitrobenzene-1,2-dicarboxylic acid, 1,2-benzenedicarboxylic acid, 4-nitro-, Phthalic acid, 4-nitro-, 4-nitrophthalicacid
Molecular Formula
C8H5NO6
Molecular Weight
211.13  g/mol
InChI Key
SLBQXWXKPNIVSQ-UHFFFAOYSA-N

CAS 610-27-5
1 2D Structure

CAS 610-27-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-nitrophthalic acid
2.1.2 InChI
InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
2.1.3 InChI Key
SLBQXWXKPNIVSQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 610-27-5

2. 5-nitrophthalic Acid

3. 4-nitrobenzene-1,2-dicarboxylic Acid

4. 1,2-benzenedicarboxylic Acid, 4-nitro-

5. Phthalic Acid, 4-nitro-

6. 4-nitrophthalicacid

7. Mfcd00007252

8. Nsc 5395

9. Einecs 210-215-3

10. P-nitrophthalic Acid

11. 4-nitro-phthalic Acid

12. Ai3-08820

13. Unii-kgn4549btd

14. Kgn4549btd

15. 4-nitrophthalic Acid, 92%

16. Schembl260006

17. 4-nitrobenzene-1,2-dioic Acid

18. Chembl2179898

19. Dtxsid8060581

20. Nsc5395

21. Zinc157056

22. 4-nitrophthalic Acid, >=97.0%

23. Amy17987

24. Cs-m0147

25. Nsc-5395

26. Bbl027637

27. Stk397442

28. Akos000120353

29. Akos025395684

30. Ac-4825

31. As-15912

32. Sy035500

33. 4-nitrophthalic Acid 100 Ng/ml In Water

34. Ft-0602369

35. N0244

36. J-515887

37. Z56781926

38. F0001-1599

39. K8g

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 211.13 g/mol
Molecular Formula C8H5NO6
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass211.01168688 g/mol
Monoisotopic Mass211.01168688 g/mol
Topological Polar Surface Area120 Ų
Heavy Atom Count15
Formal Charge0
Complexity296
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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4 Nitro Phthalic acid

CAS Number : 610-27-5

End Use API :

About the Company : Omkrown Pharmachem Pvt Ltd is a private limited company located in Belgaum, India and is engaged in the manufacturing of Active Pharmaceutical ingredients and bulk drug intermediates. <...

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