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Home Nitriles 2,4,5-Trifluorobenzonitrile

2,4,5-Trifluorobenzonitrile

CAS No.:
98349-22-5
Catalog Number:
AG003FLS
Molecular Formula:
C7H2F3N
Molecular Weight:
157.0927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
In Stock USA
United States
$115
- +
5g
99%
In Stock USA
United States
$146
- +
25g
≥98%
In Stock USA
United States
$158
- +
Product Description
Catalog Number:
AG003FLS
Chemical Name:
2,4,5-Trifluorobenzonitrile
CAS Number:
98349-22-5
Molecular Formula:
C7H2F3N
Molecular Weight:
157.0927
MDL Number:
MFCD00013289
IUPAC Name:
2,4,5-trifluorobenzonitrile
InChI:
InChI=1S/C7H2F3N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
InChI Key:
DLKNOGQOOZFICZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1F)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
Quantum chemical determination of molecular geometries and interpretation of FTIR and Raman spectra for 2,4,5- and 3,4,5-tri-fluoro-benzonitriles. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081215
Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy. Organic & biomolecular chemistry 20070807
A simple method for the preparation of pseudopure states in nuclear magnetic resonance quantum information processing. The Journal of chemical physics 20041101
Properties