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886503-30-6 | Pentafluorophenyl 3-fluoro-benzenesulfonate
CAS No: 886503-30-6 Catalog No: AG01FB42 MDL No:MFCD07782212
Product Description
Catalog Number:
AG01FB42
Chemical Name:
Pentafluorophenyl 3-fluoro-benzenesulfonate
CAS Number:
886503-30-6
Molecular Formula:
C12H4F6O3S
Molecular Weight:
342.2138
MDL Number:
MFCD07782212
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) 3-fluorobenzenesulfonate
InChI:
InChI=1S/C12H4F6O3S/c13-5-2-1-3-6(4-5)22(19,20)21-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H
InChI Key:
OPUZFCZTTKFVPJ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)S(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.979g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.211g/mol
Monoisotopic Mass:
341.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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