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Home > Fluorides > 137529-43-2
137529-43-2 | 1,1'-Biphenyl, 3,4,5-trifluoro-4'-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]-
CAS No: 137529-43-2 Catalog No: AG0013HL MDL No:MFCD11053475
Product Description
Catalog Number:
AG0013HL
Chemical Name:
1,1'-Biphenyl, 3,4,5-trifluoro-4'-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]-
CAS Number:
137529-43-2
Molecular Formula:
C29H37F3
Molecular Weight:
442.5993
MDL Number:
MFCD11053475
IUPAC Name:
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
InChI:
InChI=1S/C29H37F3/c1-2-3-4-5-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-16-25(17-15-24)26-18-27(30)29(32)28(31)19-26/h14-23H,2-13H2,1H3
InChI Key:
SFGFJCGJXSZYHW-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1CC[C@H](CC1)C1CCC(CC1)c1ccc(cc1)c1cc(F)c(c(c1)F)F
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.285g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.61g/mol
Monoisotopic Mass:
442.285g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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