AG019FUE

5344-48-9 | Benzoic acid, 4-​nitro-​2-​sulfo-​, potassium salt (1:1)

AG019FUE

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CAS Number	5344-48-9
Catalog Number	AG019FUE(AGN-PC-0SF6MT)
Chemical Name	Benzoic acid, 4-​nitro-​2-​sulfo-​, potassium salt (1:1)
EC Number	611-000-0
IUPAC Name	dipotassium;4-nitro-2-sulfonatobenzoate
InChI	InChI=1S/C7H5NO7S.2K/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15;;/h1-3H,(H,9,10)(H,13,14,15);;/q;2*+1/p-2
InChI Key	GINSPFZBRUHFCY-UHFFFAOYSA-L
MDL Number	MFCD09751290
Molecular Formula	C7H5KNO7S
Molecular Weight	286.2804
SMILES	[K].S(=O)(=O)(O)c1c(C(=O)O)ccc(c1)N(=O)=O
Synonyms	Potassium 4-nitro-2-sulfonatobenzoate, 5344-48-9, 2-Carboxy-5-nitrobenzenesulfonic acid potassium salt, C7H4KNO7S, SCHEMBL2979884, AKOS030231226, AK552923, P636, Potassium 2-carboxy-5-nitrobenzenesulfonate, EC 611-000-0, Benzoic acid, 4-nitro-2-sulfo-, monopotassium salt,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	322.89g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	323.358g/mol
Monoisotopic Mass	322.89g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	152A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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