AG00EDX3

648904-84-1 | 4-Bromo-2-fluoro-1-(methylsulfonyl)benzene

AG00EDX3

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CAS Number	648904-84-1
Catalog Number	AG00EDX3(AGN-PC-07TCVU)
Chemical Name	4-Bromo-2-fluoro-1-(methylsulfonyl)benzene
IUPAC Name	4-bromo-2-fluoro-1-methylsulfonylbenzene
InChI	InChI=1S/C7H6BrFO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChI Key	ISSNNKYYINPTHS-UHFFFAOYSA-N
MDL Number	MFCD11855948
Molecular Formula	C7H6BrFO2S
Molecular Weight	253.0887
SMILES	O=S(C1=CC=C(Br)C=C1F)(C)=O
Synonyms	4-Bromo-2-fluoro-1-(methylsulfonyl)benzene, 648904-84-1, 4-bromo-2-fluoro-1-methanesulfonylbenzene, Benzene, 4-bromo-2-fluoro-1-(methylsulfonyl)-, 4-Bromo-2-fluoro-1-methylsulfonyl-benzene, ACMC-209noh, SCHEMBL1581645, CTK2A1892, DTXSID70672899, ISSNNKYYINPTHS-UHFFFAOYSA-N, KS-00003R2P, ZX-AP002766, ANW-34959, MFCD11855948, PC6251, SBB101215, ZINC38537360, AKOS015835517, 4-Bromo-2-fluorophenyl methyl sulphone, FCH1406901, PS-7444, AJ-96089, AK105140, 4-Bromo-2-fluoro-1-methanesulfonyl-benzene, AX8232620, TR-022163, 4-Bromo-2-fluoro-1-(methanesulfonyl)benzene, 4-Bromo-2-fluoro-1-(methylsulphonyl)benzene, 4-bromo-2-fluoro-l -methanesulfonyl-benzene, 4-Bromo-2-fluorophenyl methyl sulphone 98%, V7113, I01-16339, C7H6BrFO2S,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.926g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.085g/mol
Monoisotopic Mass	251.926g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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