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127723-77-7 | Benzene, 1-fluoro-2-nitro-, labeled with carbon-14 (9CI)
CAS No: 127723-77-7 Catalog No: AG000XD4 MDL No:
Product Description
Catalog Number:
AG000XD4
Chemical Name:
Benzene, 1-fluoro-2-nitro-, labeled with carbon-14 (9CI)
CAS Number:
127723-77-7
IUPAC Name:
1-fluoro-2-nitrobenzene
InChI:
InChI=1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChI Key:
PWKNBLFSJAVFAB-UHFFFAOYSA-N
EC Number:
216-088-0
NSC Number:
51869
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.023g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.101g/mol
Monoisotopic Mass:
141.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Spectroscopic analysis (FT-IR/FT-Raman) and molecular structure investigation on m-fluoronitrobenzene using hybrid computational calculations. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120801 |
| Click modification in the N6 region of A3 adenosine receptor-selective carbocyclic nucleosides for dendrimeric tethering that preserves pharmacophore recognition. | Bioconjugate chemistry 20120215 |
| Spectroscopic, electronic structure and natural bond orbital analysis of o-fluoronitrobenzene and p-fluoronitrobenzene: a comparative study. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111215 |
| Experimental (FT-IR, FT-Raman) and theoretical (HF and DFT) investigation and HOMO and LUMO analysis on the structure of p-fluoronitrobenzene. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111201 |
| The kinetics and mechanisms of aromatic nucleophilic substitution reactions in liquid ammonia. | The Journal of organic chemistry 20110506 |
| 3-Fluoro-4-nitro-phenyl 4-methyl-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20110401 |
| 2-(2-Nitro-anilino)-4,5,6,7-tetra-hydro-benzo[b]thio-phene-3-carbonitrile. | Acta crystallographica. Section E, Structure reports online 20101001 |
| A new synthesis of amino acid-based enantiomerically pure substituted 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines. | Organic & biomolecular chemistry 20100621 |
| 2-(2-Nitro-anilino)-5,6,7,8-tetra-hydro-4H-cyclo-hepta-[b]thio-phene-3-carbonitrile. | Acta crystallographica. Section E, Structure reports online 20100601 |
| 2-Dialkynyl derivatives of (N)-methanocarba nucleosides: 'Clickable' A(3) adenosine receptor-selective agonists. | Bioorganic & medicinal chemistry 20100115 |
| Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations. | The journal of physical chemistry. A 20080605 |
| Synthesis of flavonoid analogues as scaffolds for natural product-based combinatorial libraries. | Journal of combinatorial chemistry 20070101 |
| Palladium(0)-catalyzed amination, Stille coupling, and Suzuki coupling of electron-deficient aryl fluorides. | Journal of the American Chemical Society 20030219 |
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