CAS 701-27-9

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Also known as: 701-27-9, M-fluorobenzenesulfonyl chloride, 3-fluorobenzene-1-sulfonyl chloride, 3-fluorobenzenesulphonyl chloride, 3-fluoro-benzenesulfonyl chloride, 3-fluorobenzenesulfonylchloride

Molecular Formula

C₆H₄ClFO₂S

Molecular Weight

194.61 g/mol

InChI Key

OKYSUJVCDXZGKE-UHFFFAOYSA-N

1 2D Structure

CAS 701-27-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-fluorobenzenesulfonyl chloride

2.1.2 InChI

InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H

2.1.3 InChI Key

OKYSUJVCDXZGKE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC(=C1)S(=O)(=O)Cl)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 701-27-9

2. M-fluorobenzenesulfonyl Chloride

3. 3-fluorobenzene-1-sulfonyl Chloride

4. 3-fluorobenzenesulphonyl Chloride

5. 3-fluoro-benzenesulfonyl Chloride

6. 3-fluorobenzenesulfonylchloride

7. 3-fluorophenylsulfonyl Chloride

8. Mfcd00042286

9. Benzenesulfonyl Chloride, 3-fluoro-

10. Schembl67448

11. 3-fluorobenzensulfonylchloride

12. M-fluorobenzenesulfonylchloride

13. 3-fluorobenzensulfonyl Chloride

14. 3-flourobenzenesulfonyl Chloride

15. M-fluoro-phenylsulfonyl Chloride

16. 3-fluoro-benzensulfonyl Chloride

17. 3-fluorophenyl Sulfonyl Chloride

18. 3-fluorophenyl-sulfonyl Chloride

19. 3-dluorobenzenesulphonyl Chloride

20. 3-fluoro Benzenesulfonyl Chloride

21. Dtxsid00370179

22. 3-fluoro-benzene-sulfonyl Chloride

23. Bbl010572

24. Stk500497

25. Akos000120151

26. 3-fluorobenzenesulfonyl Chloride, 97%

27. Am62501

28. Cs-w004109

29. Ps-10913

30. A9263

31. F0790

32. En300-17432

33. J-512544

34. F2167-0011

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₄ClFO₂S
Molecular Weight	194.61 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	42.5
Heavy Atom Count	11
Formal Charge	0
Complexity	221
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