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Home > Fluorides > 127523-41-5
127523-41-5 | [1,1':4',1''-Terphenyl]-4-carbonitrile, 2''-fluoro-4''-propyl- (9CI)
CAS No: 127523-41-5 Catalog No: AG000X5K MDL No:
Product Description
Catalog Number:
AG000X5K
Chemical Name:
[1,1':4',1''-Terphenyl]-4-carbonitrile, 2''-fluoro-4''-propyl- (9CI)
CAS Number:
127523-41-5
Molecular Formula:
C22H18FN
Molecular Weight:
315.3834
IUPAC Name:
4-[4-(2-fluoro-4-propylphenyl)phenyl]benzonitrile
InChI:
InChI=1S/C22H18FN/c1-2-3-16-6-13-21(22(23)14-16)20-11-9-19(10-12-20)18-7-4-17(15-24)5-8-18/h4-14H,2-3H2,1H3
InChI Key:
VMARKEDZBOGWPB-UHFFFAOYSA-N
SMILES:
CCCc1ccc(c(c1)F)c1ccc(cc1)c1ccc(cc1)C#N
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.391g/mol
Monoisotopic Mass:
315.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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