AG003KWX

221030-79-1 | (4-Bromo-2-fluorophenyl)(methyl)sulfane

AG003KWX

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CAS Number	221030-79-1
Catalog Number	AG003KWX(AGN-PC-03HXL2)
Chemical Name	(4-Bromo-2-fluorophenyl)(methyl)sulfane
IUPAC Name	4-bromo-2-fluoro-1-methylsulfanylbenzene
InChI	InChI=1S/C7H6BrFS/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChI Key	YHOVMTICYSGLFD-UHFFFAOYSA-N
MDL Number	MFCD12756455
Molecular Formula	C7H6BrFS
Molecular Weight	221.0899
SMILES	CSC1=CC=C(Br)C=C1F
Synonyms	4-Bromo-2-fluorothioanisole, 221030-79-1, (4-Bromo-2-fluorophenyl)(methyl)sulfane, Benzene, 4-bromo-2-fluoro-1-(methylthio)-, ACMC-209fs2, SCHEMBL1581643, CTK4E8587, DTXSID00620308, YHOVMTICYSGLFD-UHFFFAOYSA-N, ANW-24720, MFCD12756455, ZINC38537104, AKOS015835507, FCH1376256, PC01510, QC-5121, AJ-95886, SC-52452, 4-bromo-2-fluoro-1-methylsulfanyl-benzene, AB0042519, AX8251578, TR-036173, 4-Bromo-2-fluoro-1-(methylsulfanyl)benzene, ST24034615, Z0393, B-7955, I09-2123, C7H6BrFS,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.936g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.087g/mol
Monoisotopic Mass	219.936g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H315-H335
Packing Group
Precautionary statements	P280-P260
UN Code

Certificate of Analysis

Lot Number