AG00CLLJ

426-58-4 | (Trifluoromethane)sulfonylbenzene

AG00CLLJ

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CAS Number	426-58-4
Catalog Number	AG00CLLJ(AGN-PC-0WAJA9)
Chemical Name	(Trifluoromethane)sulfonylbenzene
IUPAC Name	trifluoromethylsulfonylbenzene
InChI	InChI=1S/C7H5F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
InChI Key	UPGBQYFXKAKWQC-UHFFFAOYSA-N
MDL Number	MFCD00159083
Molecular Formula	C7H5F3O2S
Molecular Weight	210.1736
SMILES	O=S(C(F)(F)F)(C1=CC=CC=C1)=O
Synonyms	Phenyl trifluoromethyl sulfone, 426-58-4, Phenyl (trifluoromethyl) sulfone, (Trifluoromethane)sulfonylbenzene, trifluoromethylsulfonylbenzene, UPGBQYFXKAKWQC-UHFFFAOYSA-N, Benzene, [(trifluoromethyl)sulfonyl]-, AC1LBCVG, phenyltrifluoromethyl sulfone, Phenyl trifluoromethylsulfone, trifluoromethyl phenyl sulfone, SCHEMBL777153, (Trifluoromethyl) phenyl sulfone, CTK1D3093, ZX-AP009773, [(Trifluoromethyl)sulfonyl]benzene #, MFCD00159083, ZINC32224631, FCH1330510, PC49074, AK176308, AS-40530, P2195, V5908, K-8839, C7H5F3O2S, Phenyl trifluoromethylsulfone 25g, ((trifluoromethyl)sulfonyl)benzene, [(Trifluoromethyl)sulfonyl]benzene, CID555605,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.996g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.17g/mol
Monoisotopic Mass	209.996g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number