AG003TLJ

135192-53-9 | Pentafluorophenyl chlorothionoformate

AG003TLJ

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CAS Number	135192-53-9
Catalog Number	AG003TLJ(AGN-PC-0LOLBH)
Chemical Name	Pentafluorophenyl chlorothionoformate
IUPAC Name	O-(2,3,4,5,6-pentafluorophenyl) chloromethanethioate
InChI	InChI=1S/C7ClF5OS/c8-7(15)14-6-4(12)2(10)1(9)3(11)5(6)13
InChI Key	DKFQHZNKNWNZCO-UHFFFAOYSA-N
MDL Number	MFCD00075405
Molecular Formula	C7ClF5OS
Molecular Weight	262.5843
SMILES	S=C(Cl)OC1=C(F)C(F)=C(F)C(F)=C1F
Synonyms	Pentafluorophenyl chlorothionoformate, 135192-53-9, pentafluorophenylchlorothionoformate, AC1NQ3JU, SCHEMBL1589344, DTXSID90410518, O-Perfluorophenyl Chlorothioformate, Pentafluorophenyl Thionochloroformate, ZINC2545365, MFCD00075405, Pentafluorophenyl chlorothionoformate, 96%, Chlorothioformic acid pentafluorophenyl ester, PENTAFLUOROPHENYL CHLOROMETHANETHIOATE, P1267, Chlorothioformic Acid O-Pentafluorophenyl Ester, J-006664, O-(2,3,4,5,6-pentafluorophenyl) chloromethanethioate, CID5214725, Pentafluorophenyl chlorothionoformate, 95% - 1G 1g, (2,3,4,5,6-pentafluorophenoxy)methanethioyl Chloride, Carbonochloridothioic acid, O-(pentafluorophenyl) ester,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.928g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	262.578g/mol
Monoisotopic Mass	261.928g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H227-H290
Packing Group	Ⅱ
Precautionary statements	P501-P210-P234-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
UN Code	UN 3265

Certificate of Analysis

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