Home Fluorides 1017036-63-3
1017036-63-3,MFCD09936058
Catalog No.:AA00055W
1017036-63-3 | Benzenepropanenitrile, 4-(difluoromethoxy)-β-oxo-
Pack Size
Purity
Availability
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Quantity
  
250mg
95.0%
3 weeks  
$382.00   $268.00
- +
500mg
95.0%
3 weeks  
$658.00   $461.00
- +
1g
95.0%
3 weeks  
$857.00   $600.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA00055W
Chemical Name:
Benzenepropanenitrile, 4-(difluoromethoxy)-β-oxo-
CAS Number:
1017036-63-3
Molecular Formula:
C10H7F2NO2
Molecular Weight:
211.1649
MDL Number:
MFCD09936058
IUPAC Name:
3-[4-(difluoromethoxy)phenyl]-3-oxopropanenitrile
InChI:
InChI=1S/C10H7F2NO2/c11-10(12)15-8-3-1-7(2-4-8)9(14)5-6-13/h1-4,10H,5H2
InChI Key:
JDPFZHZAERTCDV-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)C(=O)CC#N)F
Properties
Computed Properties
 
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.044g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.168g/mol
Monoisotopic Mass:
211.044g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
3-[4-(difluoromethoxy)phenyl]-3-oxopropanenitrile 
1017036-63-3 
Benzenepropanenitrile, 4-(difluoromethoxy)-beta-oxo- 
SCHEMBL2092444 
JDPFZHZAERTCDV-UHFFFAOYSA-N 
ZINC19472210 
AKOS000177998 
BBV-070360 
NE40444 
EN300-126927 
3-(4-Difluoromethoxy-phenyl)-3-oxo-propionitrile 
Literature
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