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3099-28-3 | Pyridine, 2,6-bis(chloromethyl)-
CAS No: 3099-28-3 Catalog No: AG0031UY MDL No:MFCD00142844
Product Description
Catalog Number:
AG0031UY
Chemical Name:
Pyridine, 2,6-bis(chloromethyl)-
CAS Number:
3099-28-3
Molecular Formula:
C7H7Cl2N
Molecular Weight:
176.0432
MDL Number:
MFCD00142844
IUPAC Name:
2,6-bis(chloromethyl)pyridine
InChI:
InChI=1S/C7H7Cl2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
InChI Key:
IWQNFYRJSVJWQA-UHFFFAOYSA-N
SMILES:
ClCc1cccc(n1)CCl
NSC Number:
244982
Properties
Complexity:
87.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.04g/mol
Monoisotopic Mass:
174.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Rotational isomers, density functional theory, vibrational spectroscopic studies, thermodynamic functions, NBO and HOMO-LUMO analyses of 2,6-Bis(chloromethyl)pyridine. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101 |
| Synthesis and coordination properties of trifluoromethyl decorated derivatives of 2,6-bis[(diphenylphosphinoyl)methyl]pyridine N-oxide ligands with lanthanide ions. | Inorganic chemistry 20090406 |
| Spectroscopic studies on chromium(III), manganese(II), cobalt(II), nickel(II) and copper(II) complexes with hexadentate nitrogen-sulfur donor [N(2)S(4)] macrocyclic ligand. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081201 |
| Secondary interactions in the isomorphous compounds 2,6-bis(chloromethyl)pyridinium chloride and 2,6-bis(bromomethyl)pyridinium bromide. | Acta crystallographica. Section C, Crystal structure communications 20040901 |
| A highly selective and sensitive fluorescent chemosensor for Hg2+ in neutral buffer aqueous solution. | Journal of the American Chemical Society 20040303 |
| Synthesis and coordination properties of new bis(phosphinomethyl)pyridine N,P,P'-trioxides. | Inorganic chemistry 20010813 |
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