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10469-09-7 | 2-Pyridinecarboxylicacid, 3,4,5,6-tetrachloro-
CAS No: 10469-09-7 Catalog No: AG00389N MDL No:MFCD00185833
Product Description
Catalog Number:
AG00389N
Chemical Name:
2-Pyridinecarboxylicacid, 3,4,5,6-tetrachloro-
CAS Number:
10469-09-7
Molecular Formula:
C6HCl4NO2
Molecular Weight:
260.8896
MDL Number:
MFCD00185833
IUPAC Name:
3,4,5,6-tetrachloropyridine-2-carboxylic acid
InChI:
InChI=1S/C6HCl4NO2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H,12,13)
InChI Key:
GXFRQLQUKBSYQL-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(Cl)c(c(c1Cl)Cl)Cl
EC Number:
233-956-4
UNII:
7E9ZN8AB09
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.873g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.879g/mol
Monoisotopic Mass:
258.876g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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