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Home > Fluorides > 1019443-44-7
1019443-44-7 | 4-[3-(Trifluoromethyl)-phenoxy]butanenitrile
CAS No: 1019443-44-7 Catalog No: AG01FAIZ MDL No:
Product Description
Catalog Number:
AG01FAIZ
Chemical Name:
4-[3-(Trifluoromethyl)-phenoxy]butanenitrile
CAS Number:
1019443-44-7
Molecular Formula:
C11H10F3NO
Molecular Weight:
229.1984
IUPAC Name:
4-[3-(trifluoromethyl)phenoxy]butanenitrile
InChI:
InChI=1S/C11H10F3NO/c12-11(13,14)9-4-3-5-10(8-9)16-7-2-1-6-15/h3-5,8H,1-2,7H2
InChI Key:
PRGKZTKRUBVOLL-UHFFFAOYSA-N
SMILES:
N#CCCCOc1cccc(c1)C(F)(F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.202g/mol
Monoisotopic Mass:
229.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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