Home Other Building Blocks 4,4,4-TRIFLUOROCROTONITRILE

4,4,4-TRIFLUOROCROTONITRILE

CAS No.:
406-86-0
Catalog Number:
AG003KCV
Molecular Formula:
C4H2F3N
Molecular Weight:
121.0606
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003KCV
Chemical Name:
4,4,4-TRIFLUOROCROTONITRILE
CAS Number:
406-86-0
Molecular Formula:
C4H2F3N
Molecular Weight:
121.0606
MDL Number:
MFCD00190645
IUPAC Name:
(E)-4,4,4-trifluorobut-2-enenitrile
InChI:
InChI=1S/C4H2F3N/c5-4(6,7)2-1-3-8/h1-2H/b2-1+
InChI Key:
LHWSEFCIRYVTLZ-OWOJBTEDSA-N
SMILES:
N#CC=CC(F)(F)F
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
121.014g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.062g/mol
Monoisotopic Mass:
121.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties