AG003F3B

82657-74-7 | 2-(Methylsulfonyl)benzyl Bromide

AG003F3B

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CAS Number	82657-74-7
Catalog Number	AG003F3B(AGN-PC-0229G2)
Chemical Name	2-(Methylsulfonyl)benzyl Bromide
IUPAC Name	1-(bromomethyl)-2-methylsulfonylbenzene
InChI	InChI=1S/C8H9BrO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3
InChI Key	ZBLBWTFICJOODX-UHFFFAOYSA-N
MDL Number	MFCD11847473
Molecular Formula	C8H9BrO2S
Molecular Weight	249.1249
SMILES	CS(=O)(=O)C1=C(CBr)C=CC=C1
Synonyms	82657-74-7, 2-(Methylsulfonyl)benzyl Bromide, 1-(BROMOMETHYL)-2-(METHYLSULFONYL)BENZENE, 2-(Methylsulfonyl)benzylbromide, Benzene, 1-(bromomethyl)-2-(methylsulfonyl)-, 1-(bromomethyl)-2-methylsulfonyl-benzene, 1-(BROMOMETHYL)-2-METHANESULFONYLBENZENE, SCHEMBL507714, CTK3D8105, KS-00000EQH, DTXSID30596507, ZBLBWTFICJOODX-UHFFFAOYSA-N, ANW-54805, MFCD11847473, ZINC71783420, 1-Bromomethyl-2-methanesulfonylbenzene, 1-bromomethyl-2-methylsulfonyl-benzene, AKOS015888300, FCH1324703, TRA0083546, 1-bromomethyl-2-methanesulfonyl-benzene, AK-85711, AN-36135, AS-31605, CJ-21522, SC-14509, SY011649, 1-(Bromomethyl)-2-(methanesulfonyl)benzene, AJ-118495, AX8212630, DB-075861, TC-143550, FT-0719014, ST24037563, V7888, MFCD11847473 (95%), Z-4122, I01-10441, C8H9BrO2S,

Complexity	230
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	2
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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