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160580-70-1 | Propanoic acid, 3-(2-pyridinyldithio)-, 2,3,4,5,6-pentafluorophenyl ester
CAS No: 160580-70-1 Catalog No: AG001S19 MDL No:
Product Description
Catalog Number:
AG001S19
Chemical Name:
Propanoic acid, 3-(2-pyridinyldithio)-, 2,3,4,5,6-pentafluorophenyl ester
CAS Number:
160580-70-1
Molecular Formula:
C14H8F5NO2S2
Molecular Weight:
381.3408
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) 3-(pyridin-2-yldisulfanyl)propanoate
InChI:
InChI=1S/C14H8F5NO2S2/c15-9-10(16)12(18)14(13(19)11(9)17)22-8(21)4-6-23-24-7-3-1-2-5-20-7/h1-3,5H,4,6H2
InChI Key:
ICRMTRFPJXTUCG-UHFFFAOYSA-N
SMILES:
O=C(Oc1c(F)c(F)c(c(c1F)F)F)CCSSc1ccccn1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.992g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.335g/mol
Monoisotopic Mass:
380.992g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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