AG0090RM

Name: 2-Methylsulfonyl-5-(trifluoromethyl)benzoic acid
Brand: Angene Chemical
SKU: AG0090RM

1000339-64-9 | 2-Methylsulfonyl-5-(trifluoromethyl)benzoic acid

AG0090RM

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CAS Number	1000339-64-9
Catalog Number	AG0090RM(AGN-PC-0WBWPZ)
Chemical Name	2-Methylsulfonyl-5-(trifluoromethyl)benzoic acid
IUPAC Name	2-methylsulfonyl-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C9H7F3O4S/c1-17(15,16)7-3-2-5(9(10,11)12)4-6(7)8(13)14/h2-4H,1H3,(H,13,14)
InChI Key	CBZHRYXIYMQKCF-UHFFFAOYSA-N
MDL Number	MFCD09264536
Molecular Formula	C9H7F3O4S
Molecular Weight	268.2097
SMILES	S(=O)(=O)(C1(=C(C(=O)O)C=C(C(F)(F)F)C=C1))C
Synonyms	1000339-64-9, 2-(methylsulphonyl)-5-(trifluoromethyl)benzoic acid, 2-methylsulfonyl-5-trifluoromethylbenzoic acid, 2-Methylsulfonyl-5-(trifluoromethyl)benzoic acid, 2-(Methylsulfonyl)-5-(trifluoromethyl)benzoic acid, 2-methanesulfonyl-5-(trifluoromethyl)benzoic acid, CTK7I6895, KS-00003QWM, DTXSID10650217, ZX-AP002171, 7057AC, MFCD09264536, PC7471, ZINC15443709, AKOS015852596, PS-6809, TR-048508, BB 0259894, 3-Carboxy-4-(methylsulphonyl)benzotrifluoride, 2-(Methanesulfonyl)-5-(trifluoromethyl)benzoic acid, 2-Carboxy-4-(trifluoromethyl)phenyl methyl sulphone, C9H7F3O4S,

Complexity	395
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.002g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	268.206g/mol
Monoisotopic Mass	268.002g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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