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Home > Fluorides > 1420537-69-4
1420537-69-4 | [1,1'-Biphenyl]-4-sulfonic acid, 2,3,4,5,6-pentafluorophenyl ester
CAS No: 1420537-69-4 Catalog No: AG001HMY MDL No:MFCD22689145
Product Description
Catalog Number:
AG001HMY
Chemical Name:
[1,1'-Biphenyl]-4-sulfonic acid, 2,3,4,5,6-pentafluorophenyl ester
CAS Number:
1420537-69-4
Molecular Formula:
C18H9F5O3S
Molecular Weight:
400.3193
MDL Number:
MFCD22689145
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) 4-phenylbenzenesulfonate
InChI:
InChI=1S/C18H9F5O3S/c19-13-14(20)16(22)18(17(23)15(13)21)26-27(24,25)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChI Key:
CHFIMSUQBQLBQX-UHFFFAOYSA-N
SMILES:
Fc1c(OS(=O)(=O)c2ccc(cc2)c2ccccc2)c(F)c(c(c1F)F)F
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.019g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.319g/mol
Monoisotopic Mass:
400.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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