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Home > Fluorides > 114969-04-9
114969-04-9 | Benzene, [[2-fluoro-2-(phenylsulfonyl)ethyl]thio]-
CAS No: 114969-04-9 Catalog No: AG000FHQ MDL No:
Product Description
Catalog Number:
AG000FHQ
Chemical Name:
Benzene, [[2-fluoro-2-(phenylsulfonyl)ethyl]thio]-
CAS Number:
114969-04-9
Molecular Formula:
C14H13FO2S2
Molecular Weight:
296.3802
IUPAC Name:
[2-(benzenesulfonyl)-2-fluoroethyl]sulfanylbenzene
InChI:
InChI=1S/C14H13FO2S2/c15-14(11-18-12-7-3-1-4-8-12)19(16,17)13-9-5-2-6-10-13/h1-10,14H,11H2
InChI Key:
UAWKTOQEHWLCRO-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)c1ccccc1)CSc1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.034g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.374g/mol
Monoisotopic Mass:
296.034g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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