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Home > Fluorides > 1017035-86-7
1017035-86-7 | 3-[2-(Trifluoromethyl)-phenoxy]propanenitrile
CAS No: 1017035-86-7 Catalog No: AG01FA7F MDL No:
Product Description
Catalog Number:
AG01FA7F
Chemical Name:
3-[2-(Trifluoromethyl)-phenoxy]propanenitrile
CAS Number:
1017035-86-7
Molecular Formula:
C10H8F3NO
Molecular Weight:
215.1718
IUPAC Name:
3-[2-(trifluoromethyl)phenoxy]propanenitrile
InChI:
InChI=1S/C10H8F3NO/c11-10(12,13)8-4-1-2-5-9(8)15-7-3-6-14/h1-2,4-5H,3,7H2
InChI Key:
GQMSBOQMVKWBCG-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccccc1C(F)(F)F
Properties
Complexity:
243
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:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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