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1020409-17-9 | 2-Pyridinecarboxylic acid, 3,4,5-trichloro-1,6-dihydro-1-methyl-6-oxo-, methyl ester
CAS No: 1020409-17-9 Catalog No: AG0006FV MDL No:
Product Description
Catalog Number:
AG0006FV
Chemical Name:
2-Pyridinecarboxylic acid, 3,4,5-trichloro-1,6-dihydro-1-methyl-6-oxo-, methyl ester
CAS Number:
1020409-17-9
Molecular Formula:
C8H6Cl3NO3
Molecular Weight:
270.4971
IUPAC Name:
methyl 3,4,5-trichloro-1-methyl-6-oxopyridine-2-carboxylate
InChI:
InChI=1S/C8H6Cl3NO3/c1-12-6(8(14)15-2)4(10)3(9)5(11)7(12)13/h1-2H3
InChI Key:
PSRVFCOHQNHDCR-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)c(Cl)c(c(=O)n1C)Cl
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.941g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.49g/mol
Monoisotopic Mass:
268.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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