AG002O3R

236739-02-9 | 2,4-Difluorophenyl methyl sulfone

AG002O3R

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CAS Number	236739-02-9
Catalog Number	AG002O3R(AGN-PC-0KKMFN)
Chemical Name	2,4-Difluorophenyl methyl sulfone
IUPAC Name	2,4-difluoro-1-methylsulfonylbenzene
InChI	InChI=1S/C7H6F2O2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChI Key	QERFJRMBVQTJAP-UHFFFAOYSA-N
MDL Number	MFCD03789188
Molecular Formula	C7H6F2O2S
Molecular Weight	192.1831
SMILES	C1=CC(F)=CC(=C1S(=O)(=O)C)F
Synonyms	236739-02-9, 2,4-Difluorophenyl methyl sulfone, 2,4-difluoro-1-(methylsulfonyl)benzene, 2,4-difluorophenylmethylsulfone, 2,4-difluoro-1-methylsulfonyl-benzene, AC1MBXX9, SCHEMBL644662, CTK8E3511, QERFJRMBVQTJAP-UHFFFAOYSA-N, ZINC2511105, 2,4-difluoro-1-methylsulfonylbenzene, 2,4-difluoro-1-methanesulfonylbenzene, AKOS006228507, MCULE-3103001176, VZ34377, 1-(Methylsulfonyl)-2,4-difluorobenzene, 2,4-difluoro-1-methanesulfonyl-benzene, AJ-36543, S135, RT-018503, Benzene, 2,4-difluoro-1-(methylsulfonyl)-, FT-0694443, ST51042010, C7H6F2O2S, CID2758336, Benzene,2,4-difluoro-1-(methylsulfonyl)-,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.006g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.18g/mol
Monoisotopic Mass	192.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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