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921932-52-7

921932-52-7 | 1-Butanone, 4,4,4-trifluoro-3-(4-fluorophenyl)-1-phenyl-

CAS No: 921932-52-7 Catalog No: AG006FU3 MDL No:

Product Description

Catalog Number:
AG006FU3
Chemical Name:
1-Butanone, 4,4,4-trifluoro-3-(4-fluorophenyl)-1-phenyl-
CAS Number:
921932-52-7
Molecular Formula:
C16H12F4O
Molecular Weight:
296.2595
IUPAC Name:
4,4,4-trifluoro-3-(4-fluorophenyl)-1-phenylbutan-1-one
InChI:
InChI=1S/C16H12F4O/c17-13-8-6-11(7-9-13)14(16(18,19)20)10-15(21)12-4-2-1-3-5-12/h1-9,14H,10H2
InChI Key:
PEGZPKXWSYCOJC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(C(F)(F)F)CC(=O)c1ccccc1

Properties

Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.082g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.265g/mol
Monoisotopic Mass:
296.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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