AG01C27R

Name: 1-methyl-3-trifluoromethanesulfinylbenzene
Brand: Angene Chemical
SKU: AG01C27R

1178899-45-0 | 1-methyl-3-trifluoromethanesulfinylbenzene

AG01C27R

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CAS Number	1178899-45-0
Catalog Number	AG01C27R
Chemical Name	1-methyl-3-trifluoromethanesulfinylbenzene
IUPAC Name	1-methyl-3-(trifluoromethylsulfinyl)benzene
InChI	InChI=1S/C8H7F3OS/c1-6-3-2-4-7(5-6)13(12)8(9,10)11/h2-5H,1H3
InChI Key	MJYMQSHSFHXPIP-UHFFFAOYSA-N
MDL Number	MFCD29762689
Molecular Formula	C8H7F3OS
Molecular Weight	208.2008
SMILES	CC1=CC(S(C(F)(F)F)=O)=CC=C1
Synonyms	1-methyl-3-trifluoromethanesulfinylbenzene, 1178899-45-0, SCHEMBL7049436, 3-Methylphenyl(trifluoromethyl) sulfoxide,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.017g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.198g/mol
Monoisotopic Mass	208.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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