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Home > Fluorides > 1443354-16-2
1443354-16-2 | 3'-(n-Hexylthio)-2,2,2-trifluoroacetophenone
CAS No: 1443354-16-2 Catalog No: AG01FAQ7 MDL No:
Product Description
Catalog Number:
AG01FAQ7
Chemical Name:
3'-(n-Hexylthio)-2,2,2-trifluoroacetophenone
CAS Number:
1443354-16-2
Molecular Formula:
C14H17F3OS
Molecular Weight:
290.3444
IUPAC Name:
2,2,2-trifluoro-1-(3-hexylsulfanylphenyl)ethanone
InChI:
InChI=1S/C14H17F3OS/c1-2-3-4-5-9-19-12-8-6-7-11(10-12)13(18)14(15,16)17/h6-8,10H,2-5,9H2,1H3
InChI Key:
MRGRKQNGQZIVTB-UHFFFAOYSA-N
SMILES:
CCCCCCSc1cccc(c1)C(=O)C(F)(F)F
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.344g/mol
Monoisotopic Mass:
290.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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