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Home > Fluorides > 1303743-39-6
1303743-39-6 | 5-[2-(Trifluoromethyl)-phenoxy]pentanenitrile
CAS No: 1303743-39-6 Catalog No: AG01FAAK MDL No:
Product Description
Catalog Number:
AG01FAAK
Chemical Name:
5-[2-(Trifluoromethyl)-phenoxy]pentanenitrile
CAS Number:
1303743-39-6
Molecular Formula:
C12H12F3NO
Molecular Weight:
243.2250
IUPAC Name:
5-[2-(trifluoromethyl)phenoxy]pentanenitrile
InChI:
InChI=1S/C12H12F3NO/c13-12(14,15)10-6-2-3-7-11(10)17-9-5-1-4-8-16/h2-3,6-7H,1,4-5,9H2
InChI Key:
PPAVGFUJYJBIIM-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1ccccc1C(F)(F)F
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.229g/mol
Monoisotopic Mass:
243.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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