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Home > Fluorides > 116509-66-1
116509-66-1 | 4-Hexene-3-thione, 1,1,1,2-tetrafluoro-5-hydroxy-
CAS No: 116509-66-1 Catalog No: AG000COA MDL No:
Product Description
Catalog Number:
AG000COA
Chemical Name:
4-Hexene-3-thione, 1,1,1,2-tetrafluoro-5-hydroxy-
CAS Number:
116509-66-1
Molecular Formula:
C6H6F4OS
Molecular Weight:
202.1699
IUPAC Name:
5,6,6,6-tetrafluoro-4-sulfanylhex-3-en-2-one
InChI:
InChI=1S/C6H6F4OS/c1-3(11)2-4(12)5(7)6(8,9)10/h2,5,12H,1H3
InChI Key:
REXADHOSDIXWOB-UHFFFAOYSA-N
SMILES:
FC(C(F)(F)F)C(=S)C=C(O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.167g/mol
Monoisotopic Mass:
202.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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