AG00I5UI

Name: 4-((trifluoromethyl)sulfonyl)benzoic acid
Brand: Angene Chemical
SKU: AG00I5UI

312-22-1 | 4-((trifluoromethyl)sulfonyl)benzoic acid

AG00I5UI

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CAS Number	312-22-1
Catalog Number	AG00I5UI(AGN-PC-0JYUQ7)
Chemical Name	4-((trifluoromethyl)sulfonyl)benzoic acid
IUPAC Name	4-(trifluoromethylsulfonyl)benzoic acid
InChI	InChI=1S/C8H5F3O4S/c9-8(10,11)16(14,15)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChI Key	OQBZJBCMJFAWCV-UHFFFAOYSA-N
MDL Number	MFCD00766760
Molecular Formula	C8H5F3O4S
Molecular Weight	254.1831
SMILES	O=C(O)C1=CC=C(S(=O)(C(F)(F)F)=O)C=C1
Synonyms	312-22-1, 4-(trifluoromethylsulfonyl)benzoic Acid, 4-[(trifluoromethyl)sulfonyl]benzoic acid, 4-trifluoromethanesulfonylbenzoic acid, 4-Trifluoromethanesulfonyl-benzoic acid, 4-((Trifluoromethyl)sulfonyl)benzoic acid, Benzoic acid, 4-[(trifluoromethyl)sulfonyl]-, AC1LJNPF, CHEMBL98467, AC1Q736T, SCHEMBL1018442, CTK1B9942, DTXSID30359634, OQBZJBCMJFAWCV-UHFFFAOYSA-N, ZINC5013977, MFCD00766760, AKOS008965829, MCULE-8102853416, NE11682, BS-14065, EN300-30960, J-018280, CID977028,

Complexity	360
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	1.9

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