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1443323-11-2 | 4'-(iso-Pentylthio)-2,2,2-trifluoroacetophenone
CAS No: 1443323-11-2 Catalog No: AG01F9VJ MDL No:
Product Description
Catalog Number:
AG01F9VJ
Chemical Name:
4'-(iso-Pentylthio)-2,2,2-trifluoroacetophenone
CAS Number:
1443323-11-2
Molecular Formula:
C13H15F3OS
Molecular Weight:
276.3178
IUPAC Name:
2,2,2-trifluoro-1-[4-(3-methylbutylsulfanyl)phenyl]ethanone
InChI:
InChI=1S/C13H15F3OS/c1-9(2)7-8-18-11-5-3-10(4-6-11)12(17)13(14,15)16/h3-6,9H,7-8H2,1-2H3
InChI Key:
SEQAVIAXSRVQNN-UHFFFAOYSA-N
SMILES:
CC(CCSc1ccc(cc1)C(=O)C(F)(F)F)C
Properties
Complexity:
268
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:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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