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Home > Fluorides > 138074-20-1
138074-20-1 | 1,1'-Biphenyl, 4'-(trans-4-ethylcyclohexyl)-3,5-difluoro-
CAS No: 138074-20-1 Catalog No: AG0017XQ MDL No:
Product Description
Catalog Number:
AG0017XQ
Chemical Name:
1,1'-Biphenyl, 4'-(trans-4-ethylcyclohexyl)-3,5-difluoro-
CAS Number:
138074-20-1
Molecular Formula:
C20H22F2
Molecular Weight:
300.3855
IUPAC Name:
1-[4-(4-ethylcyclohexyl)phenyl]-3,5-difluorobenzene
InChI:
InChI=1S/C20H22F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-19(21)13-20(22)12-18/h7-15H,2-6H2,1H3
InChI Key:
PSXKOTCQJQJUMA-UHFFFAOYSA-N
SMILES:
CC[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1cc(F)cc(c1)F
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.393g/mol
Monoisotopic Mass:
300.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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