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30306-69-5

30306-69-5 | Benzene, iodonitro-

CAS No: 30306-69-5 Catalog No: AG002ZLT MDL No:

Product Description

Catalog Number:
AG002ZLT
Chemical Name:
Benzene, iodonitro-
CAS Number:
30306-69-5
Molecular Formula:
C6H4INO2
Molecular Weight:
249.0059
IUPAC Name:
1-iodo-4-nitrobenzene
InChI:
InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChI Key:
SCCCFNJTCDSLCY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1I
EC Number:
211-272-7
NSC Number:
9794

Properties

Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.929g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.007g/mol
Monoisotopic Mass:
248.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

Title Journal
Fabrication of Co(OH)2 coated Pt nanoparticles as an efficient catalyst for chemoselective hydrogenation of halonitrobenzenes. Journal of colloid and interface science 20120701
1-{2-[4-(4-Nitro-phen-yl)piperazin-1-yl]eth-yl}-4-aza-1-azoniabicyclo-[2.2.2]octane iodide. Acta crystallographica. Section E, Structure reports online 20120701
Experimental and theoretical study of substituent effects of iodonitrobenzenes. The journal of physical chemistry. A 20071011
Guanidine/Pd(OAc)2-catalyzed room temperature Suzuki cross-coupling reaction in aqueous media under aerobic conditions. The Journal of organic chemistry 20070525
Microfluidic channel flow cell for simultaneous cryoelectrochemical electron spin resonance. Analytical chemistry 20070301
Highly enantioselective synthesis of atropisomeric anilide derivatives through catalytic asymmetric N-arylation: conformational analysis and application to asymmetric enolate chemistry. Journal of the American Chemical Society 20061004
Recyclable and reusable Pd(OAc)2/DABCO/PEG-400 system for Suzuki-Miyaura cross-coupling reaction. The Journal of organic chemistry 20050708
Efficient palladium-catalyzed homocoupling reaction and Sonogashira cross-coupling reaction of terminal alkynes under aerobic conditions. The Journal of organic chemistry 20050527
Efficient synthesis of optically active atropisomeric anilides through catalytic asymmetric N-arylation reaction. Journal of the American Chemical Society 20050323
Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene. Acta crystallographica. Section C, Crystal structure communications 20030201

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