Home Nitriles 4,4,4-Trifluoro-3-oxobutanenitrile

4,4,4-Trifluoro-3-oxobutanenitrile

CAS No.:
110234-68-9
Catalog Number:
AG007VF2
Molecular Formula:
C4H2F3NO
Molecular Weight:
137.0600
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Product Description
Catalog Number:
AG007VF2
Chemical Name:
4,4,4-Trifluoro-3-oxobutanenitrile
CAS Number:
110234-68-9
Molecular Formula:
C4H2F3NO
Molecular Weight:
137.0600
MDL Number:
MFCD11099951
IUPAC Name:
4,4,4-trifluoro-3-oxobutanenitrile
InChI:
InChI=1S/C4H2F3NO/c5-4(6,7)3(9)1-2-8/h1H2
InChI Key:
RDNQEPVYJCVARF-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C(F)(F)F
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.009g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.061g/mol
Monoisotopic Mass:
137.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
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Properties