3,4-Difluoronitrobenzene

Synopsis, Chemistry

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Also known as: 369-34-6, 1,2-difluoro-4-nitrobenzene, Benzene, 1,2-difluoro-4-nitro-, 1,2-difluoro-4-nitro-benzene, 3,4-difluoro-1-nitrobenzene, 1-nitro-3,4-difluorobenzene

Molecular Formula

C₆H₃F₂NO₂

Molecular Weight

159.09 g/mol

InChI Key

RUBQQRMAWLSCCJ-UHFFFAOYSA-N

1 2D Structure

3,4-Difluoronitrobenzene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2-difluoro-4-nitrobenzene

2.1.2 InChI

InChI=1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

2.1.3 InChI Key

RUBQQRMAWLSCCJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 369-34-6

2. 1,2-difluoro-4-nitrobenzene

3. Benzene, 1,2-difluoro-4-nitro-

4. 1,2-difluoro-4-nitro-benzene

5. 3,4-difluoro-1-nitrobenzene

6. 1-nitro-3,4-difluorobenzene

7. Brn 1944996

8. Einecs 206-718-2

9. Mfcd00007198

10. 3,4-difluoro Nitrobenzene

11. 3,4-difluornitrobenzene

12. 3.4-difluoronitrobenzene

13. 3, 4-difluoronitrobenzene

14. 3,4-difluoro-nitrobenzene

15. 3,4- Difluoronitrobenzene

16. 3, 4-difluoro Nitrobenzene

17. 3,4-difluoro-nitro Benzene

18. 3,4-difluoro-nitro-benzene

19. Schembl85604

20. 3,4-difluoro-1-nitro-benzene

21. 3,4-difluoronitrobenzene, 99%

22. Rubqqrmawlsccj-uhfffaoysa-

23. Dtxsid00190379

24. Zinc152925

25. Act00754

26. Akos005258669

27. Akos015888122

28. Cs-w016188

29. Pb47436

30. Ac-10117

31. As-14509

32. Db-006279

33. A6350

34. Am20040304

35. D1926

36. Ft-0601467

37. En300-36083

38. P16484

39. W-106578

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₃F₂NO₂
Molecular Weight	159.09 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	159.01318466 g/mol
Monoisotopic Mass	159.01318466 g/mol
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	159
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