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Home > Fluorides > 129271-66-5
129271-66-5 | 1,1':4',1''-Terphenyl, 2',3''-difluoro-4-octyl-4''-(octyloxy)- (9CI)
CAS No: 129271-66-5 Catalog No: AG000Z0T MDL No:
Product Description
Catalog Number:
AG000Z0T
Chemical Name:
1,1':4',1''-Terphenyl, 2',3''-difluoro-4-octyl-4''-(octyloxy)- (9CI)
CAS Number:
129271-66-5
Molecular Formula:
C34H44F2O
Molecular Weight:
506.7094
IUPAC Name:
2-fluoro-4-(3-fluoro-4-octoxyphenyl)-1-(4-octylphenyl)benzene
InChI:
InChI=1S/C34H44F2O/c1-3-5-7-9-11-13-15-27-16-18-28(19-17-27)31-22-20-29(25-32(31)35)30-21-23-34(33(36)26-30)37-24-14-12-10-8-6-4-2/h16-23,25-26H,3-15,24H2,1-2H3
InChI Key:
OSTDERLNPJJDOI-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1F)c1ccc(c(c1)F)c1ccc(cc1)CCCCCCCC
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.336g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.722g/mol
Monoisotopic Mass:
506.336g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.8
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