AG003JB7

21383-00-6 | 3-ChlorophenylMethylSulfone

AG003JB7

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CAS Number	21383-00-6
Catalog Number	AG003JB7(AGN-PC-0KKM1X)
Chemical Name	3-ChlorophenylMethylSulfone
IUPAC Name	1-chloro-3-methylsulfonylbenzene
InChI	InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key	BWPZAUWSFKCBNG-UHFFFAOYSA-N
MDL Number	MFCD00474659
Molecular Formula	C14H12Cl2O2S
Molecular Weight	315.2149
SMILES	O=S(CC1=CC=CC(Cl)=C1)(CC2=CC=CC(Cl)=C2)=O
Synonyms	3-Chlorophenyl Methyl Sulfone, 21383-00-6, Benzene, 1-chloro-3-(methylsulfonyl)-, 1-chloro-3-(methylsulfonyl)benzene, AC1MBWR3, m-chlorophenyl methyl sulfone, 3-Chlorophenyl(methyl) sulfone, SCHEMBL5020874, 1-chloro-3-methylsulfonylbenzene, 1-chloro-3-methanesulfonylbenzene, ZINC1504593, 5861AJ, MFCD00474659, AKOS006237417, MCULE-2124534189, TRA0035772, CS-11807, SY030765, FT-0766308, ST51041987, MFCD00474659 (97%), (3-chlorophenyl)(methyl)dioxo-lambda~6~-sulfane, C7H7ClO2S, 3-Chlorophenylmethylsulfone, ZINC01504593, CID2757823,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.986g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.641g/mol
Monoisotopic Mass	189.986g/mol
Rotatable Bond Count	1
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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number