AG00ELOC

Name: 2-fluoro-4-(trifluoromethylthio)aniline
Brand: Angene Chemical
SKU: AG00ELOC

596850-17-8 | 2-fluoro-4-(trifluoromethylthio)aniline

AG00ELOC

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CAS Number	596850-17-8
Catalog Number	AG00ELOC(AGN-PC-03Y9T3)
Chemical Name	2-fluoro-4-(trifluoromethylthio)aniline
IUPAC Name	2-fluoro-4-(trifluoromethylsulfanyl)aniline
InChI	InChI=1S/C7H5F4NS/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2
InChI Key	QNQRDYVNFVFUES-UHFFFAOYSA-N
MDL Number	MFCD21807292
Molecular Formula	C7H5F4NS
Molecular Weight	211.1799
SMILES	NC1=C(F)C=C(SC(F)(F)F)C=C1
Synonyms	2-Fluoro-4-(trifluoromethylthio)aniline, 596850-17-8, 2-fluoro-4-((trifluoromethyl)thio)aniline, 2-fluoro-4-[(trifluoromethyl)sulfanyl]aniline, SCHEMBL3627129, QNQRDYVNFVFUES-UHFFFAOYSA-N, 2-fluoro-4-trifluoromethylthioaniline, MFCD21807292, ZINC85936012, AKOS017691642, AS-40359,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.008g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.178g/mol
Monoisotopic Mass	211.008g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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