Home Nitriles 3-Oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile

3-Oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile

CAS No.:
71682-94-5
Catalog Number:
AG003KBR
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG003KBR
Chemical Name:
3-Oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile
CAS Number:
71682-94-5
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
MDL Number:
MFCD02260793
IUPAC Name:
3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile
InChI:
InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-7(2-4-8)9(15)5-6-14/h1-4H,5H2
InChI Key:
FSYIJSKUDBUEQZ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.159g/mol
Monoisotopic Mass:
213.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties