AG003U2M

84752-61-4 | PYRIDINIUM M-NITROBENZENESULFONATE

AG003U2M

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CAS Number	84752-61-4
Catalog Number	AG003U2M(AGN-PC-0NHUE5)
Chemical Name	PYRIDINIUM M-NITROBENZENESULFONATE
IUPAC Name	3-nitrobenzenesulfonate;pyridin-1-ium
InChI	InChI=1S/C6H5NO5S.C5H5N/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;1-2-4-6-5-3-1/h1-4H,(H,10,11,12);1-5H
InChI Key	WZZFZXZRKPNZOC-UHFFFAOYSA-N
MDL Number	MFCD00060234
Molecular Formula	C11H10N2O5S
Molecular Weight	282.2725
SMILES	O=S(C1=CC=CC=C1[N+]([O-])=O)([O-])=O.C2=CC=CC=[NH+]2
Synonyms	Pyridinium 3-nitrobenzenesulfonate, 84752-61-4, ACMC-209pwb, SCHEMBL718311, CTK3E6393, DTXSID20583481, ANW-37833, AKOS015833386, pyridin-1-ium 3-nitrobenzene-1-sulfonate, TR-026185, FT-0701797, P0941, PYRIDINIUM M-NITROBENZENESULFONATE,

Complexity	305
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.031g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	282.27g/mol
Monoisotopic Mass	282.031g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number