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Home > Fluorides > 1443353-99-8
1443353-99-8 | 4-(3,4,5-Trifluoro-phenoxy)butanenitrile
CAS No: 1443353-99-8 Catalog No: AG01FC3C MDL No:
Product Description
Catalog Number:
AG01FC3C
Chemical Name:
4-(3,4,5-Trifluoro-phenoxy)butanenitrile
CAS Number:
1443353-99-8
Molecular Formula:
C10H8F3NO
Molecular Weight:
215.1718
IUPAC Name:
4-(3,4,5-trifluorophenoxy)butanenitrile
InChI:
InChI=1S/C10H8F3NO/c11-8-5-7(6-9(12)10(8)13)15-4-2-1-3-14/h5-6H,1-2,4H2
InChI Key:
KMKRJQHRGIVYEZ-UHFFFAOYSA-N
SMILES:
N#CCCCOc1cc(F)c(c(c1)F)F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.175g/mol
Monoisotopic Mass:
215.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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