AG003H38

66107-36-6 | 2-Chlorophenyl trifluoromethanesulfonate

AG003H38

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CAS Number	66107-36-6
Catalog Number	AG003H38(AGN-PC-0JT92O)
Chemical Name	2-Chlorophenyl trifluoromethanesulfonate
IUPAC Name	(2-chlorophenyl) trifluoromethanesulfonate
InChI	InChI=1S/C7H4ClF3O3S/c8-5-3-1-2-4-6(5)14-15(12,13)7(9,10)11/h1-4H
InChI Key	KTLNEJOQAOFUTO-UHFFFAOYSA-N
MDL Number	MFCD07784322
Molecular Formula	C7H4ClF3O3S
Molecular Weight	260.6181
SMILES	O=S(C(F)(F)F)(OC1=CC=CC=C1Cl)=O
Synonyms	2-Chlorophenyl trifluoromethanesulfonate, 66107-36-6, 2-Chlorophenyl Triflate, Trifluoromethanesulfonic Acid 2-Chlorophenyl Ester, AC1LBEQI, AC1Q3PMK, ACMC-1B2R7, SCHEMBL5599422, CTK5C3533, DTXSID50342402, KTLNEJOQAOFUTO-UHFFFAOYSA-N, ANW-35145, MFCD07784322, ZINC100021931, FCH1734410, (2-chlorophenyl) trifluoromethanesulfonate, PC450239, TC-123890, Methanesulfonic acid,1,1,1-trifluoro-,2-chlorophenyl ester, Methanesulfonic acid,1,1,1-trifluoro-, 2-chlorophenyl ester, AR-1E0756, CID581421, ACN-041971, C2326, 6631-36-3,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.952g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	260.611g/mol
Monoisotopic Mass	259.952g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
UN Code

Certificate of Analysis

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