Home Nitriles 2-(2,3,4-Trifluorophenyl)acetonitrile

2-(2,3,4-Trifluorophenyl)acetonitrile

CAS No.:
243666-13-9
Catalog Number:
AG007NMY
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
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Product Description
Catalog Number:
AG007NMY
Chemical Name:
2-(2,3,4-Trifluorophenyl)acetonitrile
CAS Number:
243666-13-9
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD00061234
IUPAC Name:
2-(2,3,4-trifluorophenyl)acetonitrile
InChI:
InChI=1S/C8H4F3N/c9-6-2-1-5(3-4-12)7(10)8(6)11/h1-2H,3H2
InChI Key:
BHGADPADDLWFSR-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1F)F)F
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties