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2D Structure
Also known as: 4-chloro-2-fluoronitrobenzene, 700-37-8, Benzene, 4-chloro-2-fluoro-1-nitro-, Mfcd00042211, 2-fluoro-4-chloronitrobenzene, 1-chloro-3-fluoro-4-nitrobenzene
Molecular Formula
C6H3ClFNO2
Molecular Weight
175.54  g/mol
InChI Key
PTCPUGKKWNMITF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-2-fluoro-1-nitrobenzene
2.1.2 InChI
InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
2.1.3 InChI Key
PTCPUGKKWNMITF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1Cl)F)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4-chloro-2-fluoronitrobenzene

2. 700-37-8

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

4. Mfcd00042211

5. 2-fluoro-4-chloronitrobenzene

6. 1-chloro-3-fluoro-4-nitrobenzene

7. 4-chloro-2-fluoro-1-nitro-benzene

8. Einecs 211-842-5

9. Schembl29348

10. 5-chloro-2-nitrofluorobenzene

11. 2-fluoro-4-chloro-nitrobenzene

12. 4-chloro-2-fluoro-nitrobenzene

13. Ptcpugkkwnmitf-uhfffaoysa-

14. Dtxsid40220260

15. 2-fluoro-4-chloro-1-nitro-benzene

16. 4-chloro-2-fluoro-1-nitro Benzene

17. 4-chloro-2-fluoro-1-nitrobenzene #

18. Akos005256685

19. Ac-9689

20. Cs-w002202

21. As-14572

22. Sy013131

23. Am20060201

24. Ft-0601438

25. 4-chloro-2-fluoro-1-nitrobenzene, Aldrichcpr

26. A15951

27. En300-152826

28. J-514942

29. W-202320

30. Inchi=1/c6h3clfno2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3h

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 175.54 g/mol
Molecular Formula C6H3ClFNO2
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area45.8
Heavy Atom Count11
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1