Home Nitriles 3-(Trifluoromethyl)phenoxyacetonitrile

3-(Trifluoromethyl)phenoxyacetonitrile

CAS No.:
2145-31-5
Catalog Number:
AG003IB1
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$126
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Product Description
Catalog Number:
AG003IB1
Chemical Name:
3-(Trifluoromethyl)phenoxyacetonitrile
CAS Number:
2145-31-5
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD00052929
IUPAC Name:
2-[3-(trifluoromethyl)phenoxy]acetonitrile
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h1-3,6H,5H2
InChI Key:
UGZFDPFADQHEMW-UHFFFAOYSA-N
SMILES:
N#CCOc1cccc(c1)C(F)(F)F
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties