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Also known as: 771-69-7, 2,3,4-trifluoronitrobenzene, 2,3,4-trifluoro-1-nitrobenzene, 4-nitro-1,2,3-trifluorobenzene, Benzene, 1,2,3-trifluoro-4-nitro-, Trifluoronitrobenzene
Molecular Formula
C6H2F3NO2
Molecular Weight
177.08  g/mol
InChI Key
ARCACZWMYGILNI-UHFFFAOYSA-N
FDA UNII
NKN86LZ8MM

CAS	771-69-7
1 2D Structure

CAS	771-69-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,2,3-trifluoro-4-nitrobenzene
2.1.2 InChI
InChI=1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
2.1.3 InChI Key
ARCACZWMYGILNI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])F)F)F
2.2 Other Identifiers
2.2.1 UNII
NKN86LZ8MM
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 771-69-7

2. 2,3,4-trifluoronitrobenzene

3. 2,3,4-trifluoro-1-nitrobenzene

4. 4-nitro-1,2,3-trifluorobenzene

5. Benzene, 1,2,3-trifluoro-4-nitro-

6. Trifluoronitrobenzene

7. Nkn86lz8mm

8. Mfcd00041546

9. 2,3,4-trifluornitrobenzene

10. 1,2,3-trifluoro-4-nitro-benzene

11. Einecs 212-238-4

12. Unii-nkn86lz8mm

13. 1,2,3-trifluoronitrobenzene

14. Schembl57498

15. 2,3,4-trifluoro Nitrobenzene

16. 2,3,4-trifluoro-nitrobenzene

17. 2,3, 4-trifluoronitrobenzene

18. Arcaczwmygilni-uhfffaoysa-

19. Amy8658

20. Dtxsid30227889

21. Act00414

22. Zinc1845704

23. 2,3,4-trifluoronitrobenzene, 99%

24. Akos006221877

25. Ab01876

26. Cs-w005136

27. Ac-10203

28. As-12427

29. Db-019659

30. A9773

31. Ft-0609387

32. T1539

33. En300-64158

34. W-104327

35. 1,2,3-trifluoro-4-nitrobenzene;4-nitro-1,2,3-trifluorobenzene

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 177.08 g/mol
Molecular Formula C6H2F3NO2
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass177.00376279 g/mol
Monoisotopic Mass177.00376279 g/mol
Topological Polar Surface Area45.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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