AG00FFCO

702672-96-6 | 2-Bromo-1-methyl-4-(methylsulfonyl)benzene

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CAS Number	702672-96-6
Catalog Number	AG00FFCO(AGN-PC-0WA679)
Chemical Name	2-Bromo-1-methyl-4-(methylsulfonyl)benzene
IUPAC Name	2-bromo-1-methyl-4-methylsulfonylbenzene
InChI	InChI=1S/C8H9BrO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,1-2H3
InChI Key	AIRSBUZFXFIKHJ-UHFFFAOYSA-N
MDL Number	MFCD13195739
Molecular Formula	C8H9BrO2S
Molecular Weight	249.1249
SMILES	O=S(C1=CC=C(C)C(Br)=C1)(C)=O
Synonyms	702672-96-6, 2-Bromo-1-methyl-4-(methylsulfonyl)benzene, 2-BROMO-4-(METHYLSULFONYL)TOLUENE, 2-bromo-4-methanesulfonyl-1-methylbenzene, AK-91336, ACMC-209ods, SCHEMBL2586501, CTK5D2147, KS-00000PZG, DTXSID90682096, AIRSBUZFXFIKHJ-UHFFFAOYSA-N, ANW-35870, MFCD13195739, ZINC40456683, AKOS015835191, AM83260, FCH1382285, FS-3552, 2-bromo-1-methyl-4-methylsulfonylbenzene, 2-Bromo-4-methylsulfonyl-1-methylbenzene, AC-30073, DA-04066, SC-36991, SY096694, 2-Bromo-4-methanesulfonyl-1-methyl-benzene, AB0053818, AJ-103297, AX8229753, TR-037543, 2-Bromo-4-(methanesulfonyl)-1-methylbenzene, 4CH-011713, CS-0030375, FT-0726677, ST24022032, Z5049, MFCD13195739 (95%), B-4331, I01-10794, C8H9BrO2S,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.951g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.122g/mol
Monoisotopic Mass	247.951g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number