Home Halogens 3,5-Dibromo-2,6-dimethoxypyridine

3,5-Dibromo-2,6-dimethoxypyridine

CAS No.:
16727-44-9
Catalog Number:
AG003IKU
Molecular Formula:
C7H7Br2NO2
Molecular Weight:
296.9440
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Product Description
Catalog Number:
AG003IKU
Chemical Name:
3,5-Dibromo-2,6-dimethoxypyridine
CAS Number:
16727-44-9
Molecular Formula:
C7H7Br2NO2
Molecular Weight:
296.9440
MDL Number:
MFCD00955954
IUPAC Name:
3,5-dibromo-2,6-dimethoxypyridine
InChI:
InChI=1S/C7H7Br2NO2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,1-2H3
InChI Key:
SQWUBNSHUMRETN-UHFFFAOYSA-N
SMILES:
COc1nc(OC)c(cc1Br)Br
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.882g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.946g/mol
Monoisotopic Mass:
294.884g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Experimental and theoretical spectroscopic studies, HOMO-LUMO, NBO and NLMO analysis of 3,5-dibromo-2,6-dimethoxy pyridine. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101
Properties