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1443345-06-9 | 4'-(n-Pentylthio)-2,2,2-trifluoroacetophenone
CAS No: 1443345-06-9 Catalog No: AG01FAFB MDL No:
Product Description
Catalog Number:
AG01FAFB
Chemical Name:
4'-(n-Pentylthio)-2,2,2-trifluoroacetophenone
CAS Number:
1443345-06-9
Molecular Formula:
C13H15F3OS
Molecular Weight:
276.3178
IUPAC Name:
2,2,2-trifluoro-1-(4-pentylsulfanylphenyl)ethanone
InChI:
InChI=1S/C13H15F3OS/c1-2-3-4-9-18-11-7-5-10(6-8-11)12(17)13(14,15)16/h5-8H,2-4,9H2,1H3
InChI Key:
GNESYHGAZTWBLB-UHFFFAOYSA-N
SMILES:
CCCCCSc1ccc(cc1)C(=O)C(F)(F)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.317g/mol
Monoisotopic Mass:
276.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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