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Home > Fluorides > 137019-94-4
137019-94-4 | 1,1'-Biphenyl, 4'-(trans-4-ethylcyclohexyl)-3,4,5-trifluoro-
CAS No: 137019-94-4 Catalog No: AG0012PC MDL No:MFCD12912369
Product Description
Catalog Number:
AG0012PC
Chemical Name:
1,1'-Biphenyl, 4'-(trans-4-ethylcyclohexyl)-3,4,5-trifluoro-
CAS Number:
137019-94-4
Molecular Formula:
C20H21F3
Molecular Weight:
318.3759
MDL Number:
MFCD12912369
IUPAC Name:
5-[4-(4-ethylcyclohexyl)phenyl]-1,2,3-trifluorobenzene
InChI:
InChI=1S/C20H21F3/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h7-14H,2-6H2,1H3
InChI Key:
IZQPXKDLSVKAMJ-UHFFFAOYSA-N
SMILES:
CC[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1cc(F)c(c(c1)F)F
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.16g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.383g/mol
Monoisotopic Mass:
318.16g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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