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Home > Fluorides > 125662-60-4
125662-60-4 | Benzoic acid, 2,3,5,6-tetrafluoro-4-sulfo-
CAS No: 125662-60-4 Catalog No: AG000OAL MDL No:
Product Description
Catalog Number:
AG000OAL
Chemical Name:
Benzoic acid, 2,3,5,6-tetrafluoro-4-sulfo-
CAS Number:
125662-60-4
Molecular Formula:
C7H2F4O5S
Molecular Weight:
274.1464
IUPAC Name:
2,3,5,6-tetrafluoro-4-sulfobenzoic acid
InChI:
InChI=1S/C7H2F4O5S/c8-2-1(7(12)13)3(9)5(11)6(4(2)10)17(14,15)16/h(H,12,13)(H,14,15,16)
InChI Key:
JNESNWCWZVATQY-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)c(F)c(c(c1F)F)S(=O)(=O)O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.956g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.142g/mol
Monoisotopic Mass:
273.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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