Home Fluorides 85169-02-4
85169-02-4,MFCD01569391
Catalog No.:AA003I1L
85169-02-4 | 3-(4-Fluorophenoxy)propanenitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(GC)
in stock  
$66.00   $47.00
- +
5g
98%(GC)
in stock  
$154.00   $108.00
- +
25g
98%(GC)
in stock  
$571.00   $400.00
- +
100g
98%(GC)
in stock  
$1,544.00   $1,081.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003I1L
Chemical Name:
3-(4-Fluorophenoxy)propanenitrile
CAS Number:
85169-02-4
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
MDL Number:
MFCD01569391
IUPAC Name:
3-(4-fluorophenoxy)propanenitrile
InChI:
InChI=1S/C9H8FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
InChI Key:
MSQBUHCLFYFIGC-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1)F
EC Number:
285-945-9
Properties
Computed Properties
 
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.167g/mol
Monoisotopic Mass:
165.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
3-(4-fluorophenoxy)propanenitrile 
85169-02-4 
CTK5F4397 
DTXSID60234329 
MSQBUHCLFYFIGC-UHFFFAOYSA-N 
beta-(p-fluorophenoxy)propionitrile 
ZINC2574869 
3-(4-Fluoro-phenoxy)-propionitrile 
3185AC 
ANW-67744 
KM2291 
MFCD01569391 
3-(4-Fluorophenoxy)propiononitrile 
SBB087897 
AKOS000186143 
MCULE-2228346765 
3-(4-Fluorophenoxy)propionitrile, 97% 
AJ-42270 
DB-013858 
TC-156489 
FT-0747476 
ST24022571 
EN300-66245 
3-(4-Fluorophenoxy)propionitrile 
I14-49403 
Z54337110 
C9H8FNO 
C9-H8-F-N-O 
CID3020475 
3-(4-fluoro-phenoxy)propionitrile 
EINECS 285-945-9 
ACMC-20acz6 
AC1Q4MPX 
AC1MI9N8 
SCHEMBL9785630 
Literature
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