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1443331-35-8 | 3'-(4-n-Propylphenyl)-2,2,2-trifluoroacetophenone
CAS No: 1443331-35-8 Catalog No: AG01F9BL MDL No:
Product Description
Catalog Number:
AG01F9BL
Chemical Name:
3'-(4-n-Propylphenyl)-2,2,2-trifluoroacetophenone
CAS Number:
1443331-35-8
Molecular Formula:
C17H15F3O
Molecular Weight:
292.2956
IUPAC Name:
2,2,2-trifluoro-1-[3-(4-propylphenyl)phenyl]ethanone
InChI:
InChI=1S/C17H15F3O/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(11-14)16(21)17(18,19)20/h3,5-11H,2,4H2,1H3
InChI Key:
SHFFFORCNSYFNI-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)c1cccc(c1)C(=O)C(F)(F)F
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.301g/mol
Monoisotopic Mass:
292.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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