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Home Nitriles 2,3,4-Trifluorobenzonitrile

2,3,4-Trifluorobenzonitrile

CAS No.:
143879-80-5
Catalog Number:
AG001IJK
Molecular Formula:
C7H2F3N
Molecular Weight:
157.0927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$157
- +
500g
98%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG001IJK
Chemical Name:
2,3,4-Trifluorobenzonitrile
CAS Number:
143879-80-5
Molecular Formula:
C7H2F3N
Molecular Weight:
157.0927
MDL Number:
MFCD00013288
IUPAC Name:
2,3,4-trifluorobenzonitrile
InChI:
InChI=1S/C7H2F3N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
InChI Key:
KTPHYLJFAZNALV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1F)F)F
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.095g/mol
Monoisotopic Mass:
157.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090915
Properties