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Home > Fluorides > 160513-34-8
160513-34-8 | [1,1'-Bicyclohexyl]-4-one, 4'-(3,4,5-trifluorophenyl)-
CAS No: 160513-34-8 Catalog No: AG001RZA MDL No:
Product Description
Catalog Number:
AG001RZA
Chemical Name:
[1,1'-Bicyclohexyl]-4-one, 4'-(3,4,5-trifluorophenyl)-
CAS Number:
160513-34-8
Molecular Formula:
C18H21F3O
Molecular Weight:
310.3539
IUPAC Name:
4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-one
InChI:
InChI=1S/C18H21F3O/c19-16-9-14(10-17(20)18(16)21)13-3-1-11(2-4-13)12-5-7-15(22)8-6-12/h9-13H,1-8H2
InChI Key:
LTOIKVJZFHYJMQ-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)C1CCC(CC1)c1cc(F)c(c(c1)F)F
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.154g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.36g/mol
Monoisotopic Mass:
310.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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