AG0046V8

88972-03-6 | Benzenesulfonyl chloride, 4-fluoro-2,6-dimethyl-

AG0046V8

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CAS Number	88972-03-6
Catalog Number	AG0046V8(AGN-PC-0AM0SS)
Chemical Name	Benzenesulfonyl chloride, 4-fluoro-2,6-dimethyl-
IUPAC Name	4-fluoro-2,6-dimethylbenzenesulfonyl chloride
InChI	InChI=1S/C8H8ClFO2S/c1-5-3-7(10)4-6(2)8(5)13(9,11)12/h3-4H,1-2H3
InChI Key	RVCGNZNOJBRAGG-UHFFFAOYSA-N
MDL Number	MFCD19200538
Molecular Formula	C8H8ClFO2S
Molecular Weight	222.6643
SMILES	O=S(C1=C(C)C=C(F)C=C1C)(Cl)=O
Synonyms	88972-03-6, 4-fluoro-2,6-dimethylbenzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 4-fluoro-2,6-dimethyl-, ACMC-20lfok, SCHEMBL640928, CTK3A4074, DTXSID00717308, AKOS006333970, ZINC104537750, 2,6-Dimethyl-4-fluorobenzenesulfonyl chloride,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.992g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.658g/mol
Monoisotopic Mass	221.992g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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