200,000+ products from a single source!
sales@angenechem.com
98349-22-5 | 2,4,5-Trifluorobenzonitrile
CAS No: 98349-22-5 Catalog No: AG003FLS MDL No:MFCD00013289
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.