5-Chloro-6-methylpyridine-2-sulfonyl Chloride - CAS 1279213-03-4

Catalog:	BB069991
Product Name:	5-Chloro-6-methylpyridine-2-sulfonyl Chloride
CAS:	1279213-03-4
Synonyms:	5-Chloro-6-methyl-2-pyridinesulfonyl Chloride

Technical Data

IUPAC Name:	5-chloro-6-methylpyridine-2-sulfonyl chloride
Description:	5-Chloro-6-methylpyridine-2-sulfonyl Chloride is a derivative of 6-Chloro-2-methyl-3-nitropyridine (C369810), a building block used for the synthesis of fluorine-containing pyridinealdoxime derivatives as treatment of organophosphorus nerve-agent poisoning.
Molecular Weight:	226.08
Molecular Formula:	C6H5Cl2NO2S
Canonical SMILES:	CC1=C(C=CC(=N1)S(=O)(=O)Cl)Cl
InChI:	InChI=1S/C6H5Cl2NO2S/c1-4-5(7)2-3-6(9-4)12(8,10)11/h2-3H,1H3
InChI Key:	LQWMAVRNJCDLRU-UHFFFAOYSA-N
References:	Timperley, C.M. et. al. J. Fluorine Chem., 132, 541 (2011).

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.941805
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.941805
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2