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Home > Fluorides > 137019-95-5
137019-95-5 | 1,1'-Biphenyl, 3,4,5-trifluoro-4'-(trans-4-pentylcyclohexyl)-
CAS No: 137019-95-5 Catalog No: AG0012PB MDL No:MFCD09839002
Product Description
Catalog Number:
AG0012PB
Chemical Name:
1,1'-Biphenyl, 3,4,5-trifluoro-4'-(trans-4-pentylcyclohexyl)-
CAS Number:
137019-95-5
Molecular Formula:
C23H27F3
Molecular Weight:
360.4557
MDL Number:
MFCD09839002
IUPAC Name:
1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)phenyl]benzene
InChI:
InChI=1S/C23H27F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h10-17H,2-9H2,1H3
InChI Key:
PRYCYWMMSZSXBK-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1cc(F)c(c(c1)F)F
EC Number:
603-995-5
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.206g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.464g/mol
Monoisotopic Mass:
360.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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