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156497-87-9 | Acetic acid, 2-[[4-(trifluoromethyl)phenyl]sulfonyl]-, ion(1-)
CAS No: 156497-87-9 Catalog No: AG001ORR MDL No:MFCD08741473
Product Description
Catalog Number:
AG001ORR
Chemical Name:
Acetic acid, 2-[[4-(trifluoromethyl)phenyl]sulfonyl]-, ion(1-)
CAS Number:
156497-87-9
Molecular Formula:
C9H7F3O4S
Molecular Weight:
268.2097
MDL Number:
MFCD08741473
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]sulfonylacetic acid
InChI:
InChI=1S/C9H7F3O4S/c10-9(11,12)6-1-3-7(4-2-6)17(15,16)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:
BKZTYDHPHFAKSZ-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)c1ccc(cc1)C(F)(F)F
Properties
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:
1.6
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