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3469-69-0

3469-69-0 | 4-Iodopyrazole

CAS No: 3469-69-0 Catalog No: AG003LKY MDL No:MFCD00005244

Product Description

Catalog Number:
AG003LKY
Chemical Name:
4-Iodopyrazole
CAS Number:
3469-69-0
Molecular Formula:
C3H3IN2
Molecular Weight:
193.9738
MDL Number:
MFCD00005244
IUPAC Name:
4-iodo-1H-pyrazole
InChI:
InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChI Key:
LLNQWPTUJJYTTE-UHFFFAOYSA-N
SMILES:
Ic1c[nH]nc1
EC Number:
222-434-1

Properties

Complexity:
48.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.934g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.975g/mol
Monoisotopic Mass:
193.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
Synthesis of new bitopic tetra(pyrazolyl)-ligands with neopentane and O-xylene backbones. TheScientificWorldJournal 20120101
Synthesis of pyrazoles via electrophilic cyclization. The Journal of organic chemistry 20110819
Pyrazolin-4-ylidenes: a new class of intriguing ligands. Dalton transactions (Cambridge, England : 2003) 20110314
Preparation and characterization of the first pyrazole-based remote N-heterocyclic carbene complexes of palladium(II). Chemical communications (Cambridge, England) 20070314
Axial ligand complexes of the Rhodnius nitrophorins: reduction potentials, binding constants, EPR spectra, and structures of the 4-iodopyrazole and imidazole complexes of NP4. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20040301
The effect of metal ions on the binding of ethanol to human alcohol dehydrogenase beta2beta2. Journal of biomedical science 20030101

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