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141734-25-0 | Benzo[b]thiophene, 2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-
CAS No: 141734-25-0 Catalog No: AG001GYL MDL No:
Product Description
Catalog Number:
AG001GYL
Chemical Name:
Benzo[b]thiophene, 2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-
CAS Number:
141734-25-0
Molecular Formula:
C13H5F11OS
Molecular Weight:
418.2256
IUPAC Name:
2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1-benzothiophene
InChI:
InChI=1S/C13H5F11OS/c14-9(11(17,18)19,8-5-6-3-1-2-4-7(6)26-8)25-13(23,24)10(15,16)12(20,21)22/h1-5H
InChI Key:
QLMTVTVENIWRJM-UHFFFAOYSA-N
SMILES:
FC(C(c1cc2c(s1)cccc2)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.989g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.224g/mol
Monoisotopic Mass:
417.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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