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Home > Fluorides > 1443354-68-4
1443354-68-4 | 5-(2-Fluoro-5-methyl-phenoxy)pentanenitrile
CAS No: 1443354-68-4 Catalog No: AG01FB23 MDL No:
Product Description
Catalog Number:
AG01FB23
Chemical Name:
5-(2-Fluoro-5-methyl-phenoxy)pentanenitrile
CAS Number:
1443354-68-4
Molecular Formula:
C12H14FNO
Molecular Weight:
207.2441
IUPAC Name:
5-(2-fluoro-5-methylphenoxy)pentanenitrile
InChI:
InChI=1S/C12H14FNO/c1-10-5-6-11(13)12(9-10)15-8-4-2-3-7-14/h5-6,9H,2-4,8H2,1H3
InChI Key:
ICUJKWXDEGUCPM-UHFFFAOYSA-N
SMILES:
Cc1cc(OCCCCC#N)c(cc1)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.248g/mol
Monoisotopic Mass:
207.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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