AG001GIT

141519-77-9 | 5-Isoquinolinesulfonyl chloride, 1-chloro-

AG001GIT

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CAS Number	141519-77-9
Catalog Number	AG001GIT(AGN-PC-03IKVD)
Chemical Name	5-Isoquinolinesulfonyl chloride, 1-chloro-
IUPAC Name	1-chloroisoquinoline-5-sulfonyl chloride
InChI	InChI=1S/C9H5Cl2NO2S/c10-9-7-2-1-3-8(15(11,13)14)6(7)4-5-12-9/h1-5H
InChI Key	LAFGPNHTRJDGQR-UHFFFAOYSA-N
MDL Number	MFCD11052630
Molecular Formula	C9H5Cl2NO2S
Molecular Weight	262.1125
SMILES	O=S(C1=CC=CC2=C1C=CN=C2Cl)(Cl)=O
Synonyms	1-Chloroisoquinoline-5-sulfonyl chloride, 141519-77-9, 1-Chloro-5-isoquinolinesulfonylChloride, 1-CHLORO-5-ISOQUINOLINESULFONYL CHLORIDE, 5-Isoquinolinesulfonylchloride, 1-chloro-, 5-Isoquinolinesulfonyl chloride, 1-chloro-, zlchem 1292, C9H5Cl2NO2S, ACMC-1C98L, SCHEMBL5007289, CTK0G9752, DTXSID00621072, ZLE0067, LAFGPNHTRJDGQR-UHFFFAOYSA-N, MFCD11052630, ZINC72399595, 1-chloro-5-chlorosulphonylisoquinoline, AKOS016013255, RP06357, 1-chloro-isoquinoline-5-sulfonyl chloride, AK-59273, (1-chloro-5-isoquinolyl)sulfonyl chloride, RT-006278, CS-0090429, FT-0664748, Y7508, J-504531, 1-Chloroisoquinoline-5-sulfonylchloride,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.942g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	262.104g/mol
Monoisotopic Mass	260.942g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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