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26449-73-0 | 2-Pyridinecarboxylic acid, 3,5,6-trichloro-4-hydroxy-
CAS No: 26449-73-0 Catalog No: AG002T97 MDL No:MFCD18382448
Product Description
Catalog Number:
AG002T97
Chemical Name:
2-Pyridinecarboxylic acid, 3,5,6-trichloro-4-hydroxy-
CAS Number:
26449-73-0
Molecular Formula:
C6H2Cl3NO3
Molecular Weight:
242.4440
MDL Number:
MFCD18382448
IUPAC Name:
3,5,6-trichloro-4-oxo-1H-pyridine-2-carboxylic acid
InChI:
InChI=1S/C6H2Cl3NO3/c7-1-3(6(12)13)10-5(9)2(8)4(1)11/h(H,10,11)(H,12,13)
InChI Key:
FGHSIAVNLWSGBY-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(Cl)c(c(c1Cl)O)Cl
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.91g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.436g/mol
Monoisotopic Mass:
240.91g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Characterization of two hydroxytrichloropicolinic acids: application of the one-bond chlorine-isotope effect in 13C NMR. | Magnetic resonance in chemistry : MRC 20080501 |
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