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1443343-29-0

1443343-29-0 | 4'-(n-Propylthio)-2,2,2-trifluoroacetophenone

CAS No: 1443343-29-0 Catalog No: AG01FAF7 MDL No:

Product Description

Catalog Number:
AG01FAF7
Chemical Name:
4'-(n-Propylthio)-2,2,2-trifluoroacetophenone
CAS Number:
1443343-29-0
Molecular Formula:
C11H11F3OS
Molecular Weight:
248.2646
IUPAC Name:
2,2,2-trifluoro-1-(4-propylsulfanylphenyl)ethanone
InChI:
InChI=1S/C11H11F3OS/c1-2-7-16-9-5-3-8(4-6-9)10(15)11(12,13)14/h3-6H,2,7H2,1H3
InChI Key:
GOZQPSHADUHWGD-UHFFFAOYSA-N
SMILES:
CCCSc1ccc(cc1)C(=O)C(F)(F)F

Properties

Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.048g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.263g/mol
Monoisotopic Mass:
248.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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