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Home > Fluorides > 854266-51-6
854266-51-6 | 1,1'-Biphenyl, 3-fluoro-4-isothiocyanato-4'-pentyl-
CAS No: 854266-51-6 Catalog No: AG004O50 MDL No:
Product Description
Catalog Number:
AG004O50
Chemical Name:
1,1'-Biphenyl, 3-fluoro-4-isothiocyanato-4'-pentyl-
CAS Number:
854266-51-6
Molecular Formula:
C18H18FNS
Molecular Weight:
299.4056
IUPAC Name:
2-fluoro-1-isothiocyanato-4-(4-pentylphenyl)benzene
InChI:
InChI=1S/C18H18FNS/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-11-18(20-13-21)17(19)12-16/h6-12H,2-5H2,1H3
InChI Key:
SYOKFTXEPABRMJ-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)c1ccc(c(c1)F)N=C=S
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.407g/mol
Monoisotopic Mass:
299.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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