CAS 403-24-7

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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

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 Formula	C₇H₄FNO₄
Molecular Weight	185.11 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	83.1
Heavy Atom Count	13
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1