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1443309-75-8 | 2'-(n-Pentylthio)-2,2,2-trifluoroacetophenone
CAS No: 1443309-75-8 Catalog No: AG01FADI MDL No:
Product Description
Catalog Number:
AG01FADI
Chemical Name:
2'-(n-Pentylthio)-2,2,2-trifluoroacetophenone
CAS Number:
1443309-75-8
Molecular Formula:
C13H15F3OS
Molecular Weight:
276.3178
IUPAC Name:
2,2,2-trifluoro-1-(2-pentylsulfanylphenyl)ethanone
InChI:
InChI=1S/C13H15F3OS/c1-2-3-6-9-18-11-8-5-4-7-10(11)12(17)13(14,15)16/h4-5,7-8H,2-3,6,9H2,1H3
InChI Key:
TWNNZJPMKWNOAI-UHFFFAOYSA-N
SMILES:
CCCCCSc1ccccc1C(=O)C(F)(F)F
Properties
Complexity:
266
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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