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Home > Fluorides > 123228-00-2
123228-00-2 | Benzene, [(2,2,2-trifluoro-1-phenylethyl)thio]-
CAS No: 123228-00-2 Catalog No: AG000K7D MDL No:
Product Description
Catalog Number:
AG000K7D
Chemical Name:
Benzene, [(2,2,2-trifluoro-1-phenylethyl)thio]-
CAS Number:
123228-00-2
Molecular Formula:
C14H11F3S
Molecular Weight:
268.2973
IUPAC Name:
(2,2,2-trifluoro-1-phenylethyl)sulfanylbenzene
InChI:
InChI=1S/C14H11F3S/c15-14(16,17)13(11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,13H
InChI Key:
YCHPFOXGVGKIJG-UHFFFAOYSA-N
SMILES:
FC(C(c1ccccc1)Sc1ccccc1)(F)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.297g/mol
Monoisotopic Mass:
268.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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