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127655-35-0 | [1,1':4',1''-Terphenyl]-4-carbonitrile, 3-fluoro-4''-propyl- (9CI)
CAS No: 127655-35-0 Catalog No: AG000X9T MDL No:
Product Description
Catalog Number:
AG000X9T
Chemical Name:
[1,1':4',1''-Terphenyl]-4-carbonitrile, 3-fluoro-4''-propyl- (9CI)
CAS Number:
127655-35-0
Molecular Formula:
C22H18FN
Molecular Weight:
315.3834
IUPAC Name:
2-fluoro-4-[4-(4-propylphenyl)phenyl]benzonitrile
InChI:
InChI=1S/C22H18FN/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-21(15-24)22(23)14-20/h4-14H,2-3H2,1H3
InChI Key:
WPEZEJLXLRBUSR-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)c1ccc(cc1)c1ccc(c(c1)F)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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