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Home > Fluorides > 201943-34-2
201943-34-2 | Benzene, [[(3,3,4,4,5,5-hexafluoro-1-pentyn-1-yl)thio]methyl]-
CAS No: 201943-34-2 Catalog No: AG0027XN MDL No:
Product Description
Catalog Number:
AG0027XN
Chemical Name:
Benzene, [[(3,3,4,4,5,5-hexafluoro-1-pentyn-1-yl)thio]methyl]-
CAS Number:
201943-34-2
Molecular Formula:
C12H8F6S
Molecular Weight:
298.2473
IUPAC Name:
3,3,4,4,5,5-hexafluoropent-1-ynylsulfanylmethylbenzene
InChI:
InChI=1S/C12H8F6S/c13-10(14)12(17,18)11(15,16)6-7-19-8-9-4-2-1-3-5-9/h1-5,10H,8H2
InChI Key:
BYGDROJYTDMKBJ-UHFFFAOYSA-N
SMILES:
FC(C(C(C#CSCc1ccccc1)(F)F)(F)F)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.025g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.246g/mol
Monoisotopic Mass:
298.025g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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