AG00H990

Name: 4-(Methylsulfanyl)-3-(trifluoromethoxy)phenylboronic Acid
Brand: Angene Chemical
SKU: AG00H990

1005206-27-8 | 4-(Methylsulfanyl)-3-(trifluoromethoxy)phenylboronic Acid

AG00H990

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CAS Number	1005206-27-8
Catalog Number	AG00H990(AGN-PC-0WQWNB)
Chemical Name	4-(Methylsulfanyl)-3-(trifluoromethoxy)phenylboronic Acid
IUPAC Name	[4-methylsulfanyl-3-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C8H8BF3O3S/c1-16-7-3-2-5(9(13)14)4-6(7)15-8(10,11)12/h2-4,13-14H,1H3
InChI Key	KZMPCESUPRQUAO-UHFFFAOYSA-N
MDL Number	MFCD22549311
Molecular Formula	C8H8BF3O3S
Molecular Weight	252.0185
SMILES	CSc1ccc(cc1OC(F)(F)F)B(O)O
Synonyms	4-(Methylsulfanyl)-3-(trifluoromethoxy)phenylboronic acid, 1005206-27-8, SCHEMBL3493566, KZMPCESUPRQUAO-UHFFFAOYSA-N, AKOS026672378, ZINC169988549, [4-(methylthio)-3-(trifluoromethoxy)phenyl]boronic acid,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.024g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	252.014g/mol
Monoisotopic Mass	252.024g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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