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Also known as: 403-24-7, 2-fluoro-4-nitrobenzenecarboxylic acid, 2-fluoro-4-nitrobenzoicacid, 2-fluoro-4-nitro-benzoic acid, Benzoic acid, 2-fluoro-4-nitro-, Mfcd00275565
Molecular Formula
C7H4FNO4
Molecular Weight
185.11  g/mol
InChI Key
MMWFMFZFCKADEL-UHFFFAOYSA-N

CAS 403-24-7
1 2D Structure

CAS 403-24-7

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

1. 403-24-7

2. 2-fluoro-4-nitrobenzenecarboxylic Acid

3. 2-fluoro-4-nitrobenzoicacid

4. 2-fluoro-4-nitro-benzoic Acid

5. Benzoic Acid, 2-fluoro-4-nitro-

6. Mfcd00275565

7. Nsc190361

8. 2-fluoro4-nitrobenzoic Acid

9. Schembl77925

10. 2-fluor-4-nitro-benzoesaure

11. 4-nitro-2-fluorobenzoic Acid

12. 2 -fluoro-4-nitrobenzoic Acid

13. Chembl4541220

14. Schembl13981884

15. Dtxsid40307207

16. Act00333

17. Bcp24608

18. Cs-b1276

19. Bbl101562

20. Cl4104

21. Stl555358

22. Akos005071034

23. Ac-3607

24. Nsc 190361

25. Nsc-190361

26. Bp-12810

27. Sy007322

28. Db-016982

29. A6750

30. Am20060215

31. F0797

32. Ft-0612340

33. En300-51142

34. 7r-0042

35. J-509428

36. Z609263558

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 185.11 g/mol
Molecular Formula C7H4FNO4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area83.1
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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