AG01B584

Name: 3-trifluoromethanesulfonylbenzoic acid
Brand: Angene Chemical
SKU: AG01B584

952-69-2 | 3-trifluoromethanesulfonylbenzoic acid

AG01B584

SDS

COA

TIP This product is typically in stock.Please contact us for quotation.

Request For Quotation

CAS Number	952-69-2
Catalog Number	AG01B584(AGN-PC-00PRWB)
Chemical Name	3-trifluoromethanesulfonylbenzoic acid
IUPAC Name	3-(trifluoromethylsulfonyl)benzoic acid
InChI	InChI=1S/C8H5F3O4S/c9-8(10,11)16(14,15)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI Key	BUXMJMHFPYNLAJ-UHFFFAOYSA-N
MDL Number	MFCD00766763
Molecular Formula	C8H5F3O4S
Molecular Weight	254.1831
SMILES	OC(C1=CC(S(C(F)(F)F)(=O)=O)=CC=C1)=O
Synonyms	952-69-2, 3-(trifluoromethylsulfonyl)benzoic Acid, 3-((Trifluoromethyl)sulfonyl)benzoic acid, CHEMBL98704, SCHEMBL1449037, CTK3G8953, DTXSID20575048, BUXMJMHFPYNLAJ-UHFFFAOYSA-N, MFCD00766763, ZINC26741543, AKOS009144696, 3-Trifluoromethanesulfonyl-benzoic acid, 3-(Trifluoromethanesulfonyl)benzoic acid, 3-(Trifluoromethylsulphonyl)benzoic acid, PS-11205, 3-TRIFLUOROMETHANESULFONYLBENZOIC ACID, Benzoic acid, 3-[(trifluoromethyl)sulfonyl]-,

Complexity	368
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.986g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.179g/mol
Monoisotopic Mass	253.986g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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