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Home > Fluorides > 168262-49-5
168262-49-5 | [1,1'-Biphenyl]-4-carbonitrile, 2'-fluoro-4'-propoxy-
CAS No: 168262-49-5 Catalog No: AG001XYR MDL No:
Product Description
Catalog Number:
AG001XYR
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 2'-fluoro-4'-propoxy-
CAS Number:
168262-49-5
Molecular Formula:
C16H14FNO
Molecular Weight:
255.2869
IUPAC Name:
4-(2-fluoro-4-propoxyphenyl)benzonitrile
InChI:
InChI=1S/C16H14FNO/c1-2-9-19-14-7-8-15(16(17)10-14)13-5-3-12(11-18)4-6-13/h3-8,10H,2,9H2,1H3
InChI Key:
DNMOBYHEXJUFSD-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)F)c1ccc(cc1)C#N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.292g/mol
Monoisotopic Mass:
255.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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