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Also known as: 385-02-4, 6-fluoro-2-nitrobenzoic acid, 2-fluoro-6-nitrobenzoicacid, Benzoic acid, 2-fluoro-6-nitro-, 2-fluoro-6-nitro-benzoic acid, Mfcd01862079
Molecular Formula
C7H4FNO4
Molecular Weight
185.11  g/mol
InChI Key
MPDZCNPDHUUPRL-UHFFFAOYSA-N

CAS 385-02-4
1 2D Structure

CAS 385-02-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-fluoro-6-nitrobenzoic acid
2.1.2 InChI
InChI=1S/C7H4FNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
2.1.3 InChI Key
MPDZCNPDHUUPRL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 385-02-4

2. 6-fluoro-2-nitrobenzoic Acid

3. 2-fluoro-6-nitrobenzoicacid

4. Benzoic Acid, 2-fluoro-6-nitro-

5. 2-fluoro-6-nitro-benzoic Acid

6. Mfcd01862079

7. 2-carboxy-3-fluoronitrobenzene

8. 6-fluoro-nitrobenzoic Acid

9. Schembl355378

10. 2-fluoro-6-nitrobenzoic Acid #

11. Dtxsid20345324

12. Act00237

13. Bcp01141

14. Zinc2386501

15. Ac-880

16. Bbl103245

17. Stl557055

18. Akos005063885

19. Cs-w002848

20. Gs-3528

21. Sy002689

22. 2-fluoro-6-nitrobenzoic Acid, Aldrichcpr

23. Db-006132

24. A6520

25. Am20050557

26. F1107

27. Ft-0601395

28. 385f024

29. J-509500

30. 2-fluoro-6-nitro-benzoic Acid;2-fluoro-6-nitrobenzoic Acid

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 185.11 g/mol
Molecular Formula C7H4FNO4
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass185.01243577 g/mol
Monoisotopic Mass185.01243577 g/mol
Topological Polar Surface Area83.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity227
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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