AG00EK0K

594839-14-2 | 5-Chlorosulfonyl-nicotinic acid methyl ester

AG00EK0K

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CAS Number	594839-14-2
Catalog Number	AG00EK0K(AGN-PC-0A9ZC0)
Chemical Name	5-Chlorosulfonyl-nicotinic acid methyl ester
IUPAC Name	methyl 5-chlorosulfonylpyridine-3-carboxylate
InChI	InChI=1S/C7H6ClNO4S/c1-13-7(10)5-2-6(4-9-3-5)14(8,11)12/h2-4H,1H3
InChI Key	MRZZIJUGMGGPLK-UHFFFAOYSA-N
MDL Number	MFCD19160571
Molecular Formula	C7H6ClNO4S
Molecular Weight	235.6448
SMILES	O=C(OC)C1=CN=CC(S(=O)(Cl)=O)=C1
Synonyms	Methyl 5-(chlorosulfonyl)nicotinate, 594839-14-2, methyl 5-(chlorosulfonyl)pyridine-3-carboxylate, 5-Chlorosulfonyl-nicotinic acid methyl ester, SCHEMBL15772806, MRZZIJUGMGGPLK-UHFFFAOYSA-N, 4290AJ, AKOS006239568, ZINC100180849, EN300-79589, Z-5915, C7H6ClNO4S,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.971g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.638g/mol
Monoisotopic Mass	234.971g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	81.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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