AG000G8W

1156-50-9 | Benzene, 1,1'-sulfonylbis[4-nitro-

AG000G8W

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CAS Number	1156-50-9
Catalog Number	AG000G8W(AGN-PC-0JL9ZE)
Chemical Name	Benzene, 1,1'-sulfonylbis[4-nitro-
EC Number	214-589-9
IUPAC Name	1-nitro-4-(4-nitrophenyl)sulfonylbenzene
InChI	InChI=1S/C12H8N2O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H
InChI Key	BVHNGWRPAFKGFP-UHFFFAOYSA-N
MDL Number	MFCD00010447
Molecular Formula	C12H8N2O6S
Molecular Weight	308.2667
NSC Number	20609
SMILES	O=S(C1=CC=C([N+]([O-])=O)C=C1)(C2=CC=C([N+]([O-])=O)C=C2)=O
Synonyms	Bis(4-nitrophenyl) sulfone, 1156-50-9, 4-Nitrophenyl sulfone, Bis(4-nitrophenyl)sulfone, 4,4'-Dinitrodiphenyl sulfone, Bis(4-nitrophenyl) sulphone, Bis(p-nitrophenyl) sulfone, 4,4'-Dinitrodiphenylsulfone, 1,1'-Sulfonylbis(4-nitrobenzene), EINECS 214-589-9, NSC 20609, Benzene, 1,1'-sulfonylbis[4-nitro-, BRN 2060993, Sulfone, bis(p-nitrophenyl), Benzene, 1,1'-sulfonylbis(4-nitro- (9CI), BVHNGWRPAFKGFP-UHFFFAOYSA-N, NSC20609, MFCD00010447, NSC-20609, Benzene, 1,1'-sulfonylbis(4-nitro-, 1-nitro-4-[(4-nitrobenzene)sulfonyl]benzene, Compound 1 analog 13, ACMC-2099qm, AC1L2F1S, AC1Q1XM8, 4-06-00-01698 (Beilstein Handbook Reference), 4-NITRO-PHENYL-SULFONE, CHEMBL215397, SCHEMBL3158508, 4,4'-sulfonylbis(nitrobenzene), BDBM11302, CTK4A9419, DTXSID60151143, ZINC1571129, ANW-16892, Benzene,1,1'-sulfonylbis[4-nitro-, AKOS001038366, MCULE-1622320615, 1-nitro-4-(4-nitrophenyl)sulfonylbenzene, CC-24745, CJ-24739, 1-nitro-4-(4-nitrophenyl)sulfonyl-benzene, DB-041281, LS-147976, TR-002961, 4-nitro-1-[(4-nitrophenyl)sulfonyl]benzene, FT-0633413, ST50164329, C-19137, J-003313, 3-Nitrophenyl sulphone, C12H8N2O6S, CID70871, C12-H8-N2-O6-S, D1927, 1228-53-1,

Complexity	447
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	308.01g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	308.264g/mol
Monoisotopic Mass	308.01g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	134A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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