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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

BUILDING BLOCK

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AusBiotech 2024
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AusBiotech 2024
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2,3,4-Trifluoronitrobenzene

CAS Number : 771-69-7

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About the Company : Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:2004 certified chemical company with sound technology, environment consciousness, ...

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