CAS 1427-07-2

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Chemistry

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Also known as: 1427-07-2, 2-fluoro-1-methyl-4-nitrobenzene, Benzene, 2-fluoro-1-methyl-4-nitro-, Toluene, 2-fluoro-4-nitro-, 3-fluoro-4-methylnitrobenzene, 1-methyl-2-fluoro-4-nitrobenzene

Molecular Formula

C₇H₆FNO₂

Molecular Weight

155.13 g/mol

InChI Key

WIQISTBTOQNVCE-UHFFFAOYSA-N

1 2D Structure

CAS 1427-07-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-fluoro-1-methyl-4-nitrobenzene

2.1.2 InChI

InChI=1S/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

2.1.3 InChI Key

WIQISTBTOQNVCE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1427-07-2

2. 2-fluoro-1-methyl-4-nitrobenzene

3. Benzene, 2-fluoro-1-methyl-4-nitro-

4. Toluene, 2-fluoro-4-nitro-

5. 3-fluoro-4-methylnitrobenzene

6. 1-methyl-2-fluoro-4-nitrobenzene

7. 2-fluoro-1-methyl-4-nitro-benzene

8. Nsc60724

9. Einecs 215-845-2

10. 2-fluoro4-nitrotoluene

11. 2fluoro 4nitro Toluene

12. 2-fluor-4-nitro-toluol

13. 2-fluoro-4-nitro Toluene

14. 2- Fluoro-4-nitrotoluene

15. Schembl171927

16. 2-fluoro-5-nitrotrifluorotoluol

17. 2-fluoro-4-nitrotoluene, 98%

18. Wiqistbtoqnvce-uhfffaoysa-

19. Dtxsid40162131

20. Act13388

21. Bcp24544

22. Cl9288

23. Mfcd00007199

24. Nsc 60724

25. Nsc-60724

26. 2-fluoro-1-methyl-4-nitrobenzene #

27. Akos005145652

28. Ac-2486

29. As-12011

30. Db-023739

31. A6694

32. Am20060217

33. Cs-0019446

34. F0292

35. Ft-0612342

36. En300-64538

37. A19638

38. W-108174

39. Z992934732

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₆FNO₂
Molecular Weight	155.13 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	45.8
Heavy Atom Count	11
Formal Charge	0
Complexity	157
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