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Home Nitriles 2-(2-Oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile

2-(2-Oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile

CAS No.:
312308-30-8
Catalog Number:
AG00I5UU
Molecular Formula:
C12H7F3N2O
Molecular Weight:
252.1920
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$294
- +
1g
95%
In Stock USA
United States
$588
- +
5g
95%
In Stock USA
United States
$1764
- +
Product Description
Catalog Number:
AG00I5UU
Chemical Name:
2-(2-Oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile
CAS Number:
312308-30-8
Molecular Formula:
C12H7F3N2O
Molecular Weight:
252.1920
MDL Number:
MFCD18072684
IUPAC Name:
2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propanedinitrile
InChI:
InChI=1S/C12H7F3N2O/c13-12(14,15)10-3-1-9(2-4-10)11(18)5-8(6-16)7-17/h1-4,8H,5H2
InChI Key:
CWFDAAVYVKTGLR-UHFFFAOYSA-N
SMILES:
N#CC(CC(=O)c1ccc(cc1)C(F)(F)F)C#N
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.051g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.196g/mol
Monoisotopic Mass:
252.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties