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Home > Fluorides > 159896-18-1
159896-18-1 | 1,1':4',1''-Terphenyl, 2'-fluoro-4''-(methylthio)-4-propyl- (9CI)
CAS No: 159896-18-1 Catalog No: AG001RHA MDL No:
Product Description
Catalog Number:
AG001RHA
Chemical Name:
1,1':4',1''-Terphenyl, 2'-fluoro-4''-(methylthio)-4-propyl- (9CI)
CAS Number:
159896-18-1
Molecular Formula:
C22H21FS
Molecular Weight:
336.4655
IUPAC Name:
2-fluoro-4-(4-methylsulfanylphenyl)-1-(4-propylphenyl)benzene
InChI:
InChI=1S/C22H21FS/c1-3-4-16-5-7-18(8-6-16)21-14-11-19(15-22(21)23)17-9-12-20(24-2)13-10-17/h5-15H,3-4H2,1-2H3
InChI Key:
GLVZPSUDQILEDP-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)c1ccc(cc1F)c1ccc(cc1)SC
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.468g/mol
Monoisotopic Mass:
336.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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