AG007W6L

1099597-82-6 | 2-(4-((Trifluoromethyl)sulfonyl)phenyl)acetic acid

AG007W6L

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CAS Number	1099597-82-6
Catalog Number	AG007W6L(AGN-PC-0WBT84)
Chemical Name	2-(4-((Trifluoromethyl)sulfonyl)phenyl)acetic acid
IUPAC Name	2-[4-(trifluoromethylsulfonyl)phenyl]acetic acid
InChI	InChI=1S/C9H7F3O4S/c10-9(11,12)17(15,16)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key	FIEUCHICQSJBAU-UHFFFAOYSA-N
MDL Number	MFCD04973012
Molecular Formula	C9H7F3O4S
Molecular Weight	268.2097
SMILES	O=C(O)CC1=CC=C(S(=O)(C(F)(F)F)=O)C=C1
Synonyms	1099597-82-6, 4-(Trifluoromethylsulfony)phenylacetic acid, 2-(4-((Trifluoromethyl)sulfonyl)phenyl)acetic acid, MFCD04973012, W-204727, SCHEMBL16423289, CTK8F0753, DTXSID90654258, ZINC2540455, BBL100785, STL554579, AKOS005255401, RP06453, RTR-034024, 4-(Trifluoromethylsulfonyl)phenylacetic acid, BC4633805, TR-034024, (4-trifluoromethanesulfonylphenyl)acetic acid, FT-0678619, Y7035, [4-(Trifluoromethanesulfonyl)phenyl]acetic acid, X-4073, {4-[(trifluoromethyl)sulfonyl]phenyl}acetic acid, 4-(Trifluoromethylsulfonyl)phenylacetic acid, 97%, J-513946, 2-(4-(TRIFLUOROMETHYLSULFONYL)PHENYL)ACETIC ACID, C9H7F3O4S,

Complexity	374
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	3
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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