AG01B5B4

Name: 1-{2-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-one
Brand: Angene Chemical
SKU: AG01B5B4

240408-91-7 | 1-{2-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-one

AG01B5B4

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CAS Number	240408-91-7
Catalog Number	AG01B5B4
Chemical Name	1-{2-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-one
IUPAC Name	1-[2-(trifluoromethylsulfanyl)phenyl]ethanone
InChI	InChI=1S/C9H7F3OS/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1H3
InChI Key	VDRFSEAVACCURF-UHFFFAOYSA-N
MDL Number	MFCD00236330
Molecular Formula	C9H7F3OS
Molecular Weight	220.2115
SMILES	CC(C1=C(SC(F)(F)F)C=CC=C1)=O
Synonyms	2'-(Trifluoromethylthio)acetophenone, 1-{2-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-one, 240408-91-7, AC1MCS0K, 1-[2-(trifluoromethylsulfanyl)phenyl]ethanone, CTK5J9813, ZINC2560221, ZX-AP008858, MFCD00236330, PC5193, SBB095942, FCH1320405, 1-acetyl-2-(trifluoromethylthio)benzene, 1-{2-[(trifluoromethyl)sulfanyl]phenyl}ethanone, 1-{2-[(Trifluoromethyl)sulphanyl]phenyl}ethan-1-one, CID2777836,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.017g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.209g/mol
Monoisotopic Mass	220.017g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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