CAS 65001-21-0

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Also known as: 65001-21-0, 5-bromopyridine-3-sulphonyl chloride, 5-bromopyridine-3-sulfonylchloride, 5-bromo-3-pyridinesulfonyl chloride, 5-bromo-pyridine-3-sulfonyl chloride, 3-pyridinesulfonyl chloride, 5-bromo-

Molecular Formula

C₅H₃BrClNO₂S

Molecular Weight

256.51 g/mol

InChI Key

AVILRJQPDYPXFQ-UHFFFAOYSA-N

1 2D Structure

CAS 65001-21-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromopyridine-3-sulfonyl chloride

2.1.2 InChI

InChI=1S/C5H3BrClNO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H

2.1.3 InChI Key

AVILRJQPDYPXFQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C=NC=C1Br)S(=O)(=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 65001-21-0

2. 5-bromopyridine-3-sulphonyl Chloride

3. 5-bromopyridine-3-sulfonylchloride

4. 5-bromo-3-pyridinesulfonyl Chloride

5. 5-bromo-pyridine-3-sulfonyl Chloride

6. 3-pyridinesulfonyl Chloride, 5-bromo-

7. Schembl352138

8. Dtxsid80605335

9. 5-bromopyridin-3-sulfonyl Chloride

10. 3-bromopyridine-5-sulfonyl Chloride

11. 5-bromopyridine-3-sulphonylchloride

12. Amy16370

13. Mfcd08235263

14. Zinc51951744

15. 5-bromanylpyridine-3-sulfonyl Chloride

16. Akos005146267

17. Ab43830

18. Cs-w005969

19. Ds-15301

20. A8850

21. Ft-0649929

22. En300-55593

23. 5-bromopyridine-3-sulfonyl Chloride, Aldrichcpr

24. 001b210

25. A834939

26. J-517205

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₅H₃BrClNO₂S
Molecular Weight	256.51 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	254.87564 g/mol
Monoisotopic Mass	254.87564 g/mol
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	225
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

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