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886502-27-8 | Pentafluorophenyl 3,5-dichloro-benzenesulfonate
CAS No: 886502-27-8 Catalog No: AG01F9XZ MDL No:MFCD07782198
Product Description
Catalog Number:
AG01F9XZ
Chemical Name:
Pentafluorophenyl 3,5-dichloro-benzenesulfonate
CAS Number:
886502-27-8
Molecular Formula:
C12H3Cl2F5O3S
Molecular Weight:
393.1134
MDL Number:
MFCD07782198
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) 3,5-dichlorobenzenesulfonate
InChI:
InChI=1S/C12H3Cl2F5O3S/c13-4-1-5(14)3-6(2-4)23(20,21)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H
InChI Key:
RSIIYWZFDXUMGU-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1)S(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.91g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.105g/mol
Monoisotopic Mass:
391.91g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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