Home Nitriles Butanenitrile,4,4,4-trifluoro-

Butanenitrile,4,4,4-trifluoro-

CAS No.:
690-95-9
Catalog Number:
AG006CTD
Molecular Formula:
C4H4F3N
Molecular Weight:
123.0765
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Product Description
Catalog Number:
AG006CTD
Chemical Name:
Butanenitrile,4,4,4-trifluoro-
CAS Number:
690-95-9
Molecular Formula:
C4H4F3N
Molecular Weight:
123.0765
MDL Number:
MFCD02183570
IUPAC Name:
4,4,4-trifluorobutanenitrile
InChI:
InChI=1S/C4H4F3N/c5-4(6,7)2-1-3-8/h1-2H2
InChI Key:
LDONGICLORXRIB-UHFFFAOYSA-N
SMILES:
N#CCCC(F)(F)F
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.03g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.078g/mol
Monoisotopic Mass:
123.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties