AG0085WO

1032825-02-7 | 1-Bromo-2-fluoro-4-(methylsulfonyl)benzene

AG0085WO

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CAS Number	1032825-02-7
Catalog Number	AG0085WO(AGN-PC-07XTXW)
Chemical Name	1-Bromo-2-fluoro-4-(methylsulfonyl)benzene
IUPAC Name	1-bromo-2-fluoro-4-methylsulfonylbenzene
InChI	InChI=1S/C7H6BrFO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChI Key	QALKAUDOPSIGEI-UHFFFAOYSA-N
MDL Number	MFCD11053812
Molecular Formula	C7H6BrFO2S
Molecular Weight	253.0887
SMILES	S(=O)(=O)(C)c1cc(F)c(cc1)Br
Synonyms	1-Bromo-2-fluoro-4-(methylsulfonyl)benzene, 1032825-02-7, 1-bromo-2-fluoro-4-(methanesulfonyl)benzene, 1-BROMO-2-FLUORO-4-METHANESULFONYLBENZENE, PubChem20470, SCHEMBL388487, ACMC-20985f, CTK4A1927, DTXSID50674553, QALKAUDOPSIGEI-UHFFFAOYSA-N, ANW-14833, MFCD11053812, ZINC38537087, AKOS015835213, FCH1402196, RTR-000747, AJ-95871, AK-41042, AS-31347, BC004558, PC501361, SC-25002, SY009045, AB0051652, AX8168602, DB-058967, TR-000747, CS-0043581, FT-0724059, Z6605, MFCD11053812 (97%), A-4237, I01-9964, 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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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