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95123-20-9 | 2,3,4,5,6-Pentafluorophenyl cyclohexyl ketone
CAS No: 95123-20-9 Catalog No: AG01EZLB MDL No:
Product Description
Catalog Number:
AG01EZLB
Chemical Name:
2,3,4,5,6-Pentafluorophenyl cyclohexyl ketone
CAS Number:
95123-20-9
Molecular Formula:
C13H11F5O
Molecular Weight:
278.2179
IUPAC Name:
cyclohexyl-(2,3,4,5,6-pentafluorophenyl)methanone
InChI:
InChI=1S/C13H11F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h6H,1-5H2
InChI Key:
JFKLAESFFVXQOX-UHFFFAOYSA-N
SMILES:
O=C(c1c(F)c(F)c(c(c1F)F)F)C1CCCCC1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.222g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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