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Home > Fluorides > 127655-41-8
127655-41-8 | [1,1':4',1''-Terphenyl]-4-carbonitrile, 3,5-difluoro-4''-pentyl-
CAS No: 127655-41-8 Catalog No: AG000X9S MDL No:
Product Description
Catalog Number:
AG000X9S
Chemical Name:
[1,1':4',1''-Terphenyl]-4-carbonitrile, 3,5-difluoro-4''-pentyl-
CAS Number:
127655-41-8
Molecular Formula:
C24H21F2N
Molecular Weight:
361.4270
IUPAC Name:
2,6-difluoro-4-[4-(4-pentylphenyl)phenyl]benzonitrile
InChI:
InChI=1S/C24H21F2N/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-23(25)22(16-27)24(26)15-21/h6-15H,2-5H2,1H3
InChI Key:
FDBAGPQQCAHMQZ-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)c1ccc(cc1)c1cc(F)c(c(c1)F)C#N
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.164g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.436g/mol
Monoisotopic Mass:
361.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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