AG019UJW

Name: 2-((2,2,2-Trifluoroethyl)thio)benzoic acid
Brand: Angene Chemical
SKU: AG019UJW

162965-55-1 | 2-((2,2,2-Trifluoroethyl)thio)benzoic acid

AG019UJW

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CAS Number	162965-55-1
Catalog Number	AG019UJW(AGN-PC-01651T)
Chemical Name	2-((2,2,2-Trifluoroethyl)thio)benzoic acid
IUPAC Name	2-(2,2,2-trifluoroethylsulfanyl)benzoic acid
InChI	InChI=1S/C9H7F3O2S/c10-9(11,12)5-15-7-4-2-1-3-6(7)8(13)14/h1-4H,5H2,(H,13,14)
InChI Key	OCTLXWNDUQYRCZ-UHFFFAOYSA-N
MDL Number	MFCD09735608
Molecular Formula	C9H7F3O2S
Molecular Weight	236.2109
SMILES	OC(C1=C(SCC(F)(F)F)C=CC=C1)=O
Synonyms	2-[(2,2,2-trifluoroethyl)sulfanyl]benzoic acid, 162965-55-1, 2-((2,2,2-Trifluoroethyl)thio)benzoic acid, AC1Q72M4, SCHEMBL4597973, CTK7I9087, OCTLXWNDUQYRCZ-UHFFFAOYSA-N, ZINC22213463, AKOS000142980, MCULE-5084287389, NE57345, 2-(2,2,2-Trifluoroethylthio)benzoic acid, EN300-41897, 2-(2',2',2'-trifluoroethylthio)benzoic acid, Benzoic acid, 2-[(2,2,2-trifluoroethyl)thio]-, Z325213254,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.012g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.208g/mol
Monoisotopic Mass	236.012g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited