AG003260

3112-88-7 | Benzene, [(phenylmethyl)sulfonyl]-

AG003260

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CAS Number	3112-88-7
Catalog Number	AG003260(AGN-PC-00DPVC)
Chemical Name	Benzene, [(phenylmethyl)sulfonyl]-
EC Number	221-477-3
IUPAC Name	benzenesulfonylmethylbenzene
InChI	InChI=1S/C13H12O2S/c14-16(15,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChI Key	FABCMLOTUSCWOR-UHFFFAOYSA-N
MDL Number	MFCD00025040
Molecular Formula	C13H12O2S
Molecular Weight	232.2982
NSC Number	15407
SMILES	O=S(C1=CC=CC=C1)(CC2=CC=CC=C2)=O
Synonyms	Benzyl phenyl sulfone, 3112-88-7, (benzylsulfonyl)benzene, Sulfone, benzyl phenyl, Phenyl benzyl sulfone, Benzylphenylsulfone, Benzene, [(phenylmethyl)sulfonyl]-, Benzyl phenyl sulphone, benzenesulfonylmethylbenzene, ((Phenylmethyl)sulfonyl)benzene, EINECS 221-477-3, NSC 15407, BENZYLSULFONYLBENZENE, BRN 2049938, AI3-08944, ((Phenylmethyl)sulphonyl)benzene, Benzene, ((phenylmethyl)sulfonyl)-, (9CI), FABCMLOTUSCWOR-UHFFFAOYSA-N, MFCD00025040, [benzylsulfonyl]benzene, [(Phenylmethyl)sulfonyl]benzene, Phenylbenzylsulfon, benzylphenyl SULFONE, PubChem13518, ACMC-209hki, phenylsulfonylmethylbenzene, Maybridge4_001972, phenylmethanesulfonylbenzene, AC1L2R6D, WLN: WSR&1R, Benzil-related compound, 60, 4-06-00-02647 (Beilstein Handbook Reference), SCHEMBL780337, CHEMBL189988, [(benzenesulfonyl)methyl]benzene, BDBM22780, KS-00000UCV, DTXSID10185059, HMS1526J14, ZINC163130, NSC15407, ANW-27040, Benzene, ((phenylmethyl)sulfonyl)-,, NSC-15407, AKOS015898751, FS-1058, MCULE-8155808618, RP28020, VZ31364, NCGC00177060-01, AJ-15981, I408, SC-46660, ZB007926, DB-047972, LS-147959, TC-115785, B3080, FT-0622779, ST24026332, ST50407890, A820734, I09-1444, BRD-K17304618-001-01-4, C13H12O2S, [(phenylmethyl)sulphonyl]benzene, Benzene, ((phenylmethyl)sulfonyl)-, CID76561, C13-H12-O2-S,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.056g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.297g/mol
Monoisotopic Mass	232.056g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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