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157689-99-1 | Benzene, 1,2,3-trifluoro-5-[4-(trans-4-propylcyclohexyl)butyl]-
CAS No: 157689-99-1 Catalog No: AG001PMC MDL No:
Product Description
Catalog Number:
AG001PMC
Chemical Name:
Benzene, 1,2,3-trifluoro-5-[4-(trans-4-propylcyclohexyl)butyl]-
CAS Number:
157689-99-1
Molecular Formula:
C19H27F3
Molecular Weight:
312.4129
IUPAC Name:
1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)butyl]benzene
InChI:
InChI=1S/C19H27F3/c1-2-5-14-8-10-15(11-9-14)6-3-4-7-16-12-17(20)19(22)18(21)13-16/h12-15H,2-11H2,1H3
InChI Key:
MWMGQBRDXXUHBN-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)CCCCc1cc(F)c(c(c1)F)F
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.206g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.42g/mol
Monoisotopic Mass:
312.206g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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