AG002LOD

22952-24-5 | 6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide

AG002LOD

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CAS Number	22952-24-5
Catalog Number	AG002LOD(AGN-PC-0JLC24)
Chemical Name	6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide
IUPAC Name	6-nitro-1,1-dioxo-1,2-benzothiazol-3-one
InChI	InChI=1S/C7H4N2O5S/c10-7-5-2-1-4(9(11)12)3-6(5)15(13,14)8-7/h1-3H,(H,8,10)
InChI Key	HZZFBUZSKAVIOV-UHFFFAOYSA-N
MDL Number	MFCD00110677
Molecular Formula	C7H4N2O5S
Molecular Weight	228.1821
NSC Number	358278
SMILES	[N+](=O)([O-])C1=CC2=C(C(NS2(=O)=O)=O)C=C1
UNII	8E9B47A8XW
Synonyms	6-nitrosaccharin, 22952-24-5, 6-Nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide, 6-Nitrosaccharin, 6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide, 1,2-Benzisothiazol-3(2H)-one, 6-nitro-, 1,1-dioxide, 6-Nitro-1,2-benzisothiazolin-3-one-1,1-dioxide, UNII-8E9B47A8XW, 8E9B47A8XW, 6-nitro-1,1-dioxo-1,2-benzothiazol-3-one, CHEMBL3233386, HZZFBUZSKAVIOV-UHFFFAOYSA-N, 6-nitro-1,2-benzothiazol-3(2h)-one 1,1-dioxide, 1,2-Benzisothiazolin-3-one, 6-nitro-, 1,1-dioxide, NSC358278, NSC 358278, AC1Q1ZRG, C7H4N2O5S, AC1L2O94, SCHEMBL1957257, 1, 6-nitro-, 1,1-dioxide, SCHEMBL14293053, CTK3J8224, KS-00000FGZ, DTXSID30177496, ZINC4126179, ANW-50653, BBL102822, BDBM50004484, CCG-47123, CN-201, MFCD00110677, STL556630, AKOS001742467, CS-W018643, GS-3458, NSC-358278, RTR-010735, AJ-48136, AK-29024, BR-29024, K497, ST076981, SY021368, AB0014253, ST2412469, TR-010735, FT-0647752, MFCD00110677 (95%), M-1865, 6-Nitro-1,2-benzisothiazol-3-one 1,1-Dioxide, 6-nitro-2-hydrobenzo[d]isothiazole-1,1,3-trione, 952N245, SR-01000531728, I01-8056, J-014915, SR-01000531728-1, SR-01000531728-2, 6-nitro-1,2-benzisothiazol-3(2H)-one-1,1-dioxide, 6-Nitro-1,2-benzoisothiazole-3(2H)-one 1,1-dioxide, 6-nitro-2H-1$l^{6},2-benzothiazole-1,1,3-trione, 6-Nitro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide #, 6-?Nitro-?1,?2-?benzisothiazolin-?3-?one 1,?1-?dioxide, 6-nitro-2,3-dihydro-1??,2-benzothiazole-1,1,3-trione, 6-nitro-2,3-dihydro-1lambda,2-benzothiazole-1,1,3-trione, A2415/0102364, 6-nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione, 6-Nitro-1,1-dioxo-1,2-dihydro-1.lambda.(6)-benzo[d]isothiazol-3-one, 6-nitro-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one, 6-Nitro-2,3-dihydro-1H-1.lambda.-6-benzo[d]isothiazole-1,1,3-trione, C7H14N2O5S, C7-H14-N2-O5-S, AR-1H2372, CID100187, 23517-81-9,

Complexity	406
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.984g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.178g/mol
Monoisotopic Mass	227.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	117A^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	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number