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Home > Fluorides > 1378674-13-5
1378674-13-5 | 3-(3,4,5-Trifluoro-phenoxy)propanenitrile
CAS No: 1378674-13-5 Catalog No: AG01FBLM MDL No:
Product Description
Catalog Number:
AG01FBLM
Chemical Name:
3-(3,4,5-Trifluoro-phenoxy)propanenitrile
CAS Number:
1378674-13-5
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
IUPAC Name:
3-(3,4,5-trifluorophenoxy)propanenitrile
InChI:
InChI=1S/C9H6F3NO/c10-7-4-6(14-3-1-2-13)5-8(11)9(7)12/h4-5H,1,3H2
InChI Key:
PYBQANVRNMCLTQ-UHFFFAOYSA-N
SMILES:
N#CCCOc1cc(F)c(c(c1)F)F
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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