AG00CN22

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CAS Number	328-98-3
Catalog Number	AG00CN22(AGN-PC-0KKO72)
Chemical Name	1-(Methylthio)-3-(trifluoromethyl)benzene
IUPAC Name	1-methylsulfanyl-3-(trifluoromethyl)benzene
InChI	InChI=1S/C8H7F3S/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3
InChI Key	ZOFFWLOMDITUHD-UHFFFAOYSA-N
MDL Number	MFCD03789168
Molecular Formula	C8H7F3S
Molecular Weight	192.2014
SMILES	FC(C1=CC(SC)=CC=C1)(F)F
Synonyms	3-Trifluoromethylthioanisole, 328-98-3, 1-(Methylthio)-3-(trifluoromethyl)benzene, Methyl(3-(trifluoromethyl)phenyl)sulfane, AC1MC3GZ, 3-(Methylthio)benzotrifluoride, SCHEMBL1144524, CTK7B5110, ZINC2511086, MFCD03789168, AKOS006241114, AS-40303, Methyl[3-(trifluoromethyl)phenyl] sulfide, 1-methylsulfanyl-3-(trifluoromethyl)benzene, Y5122, Q-8432, C8H7F3S, ZINC02511086, CID2760784,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.199g/mol
Monoisotopic Mass	192.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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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