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1214379-11-9 | 2-Pyridinecarboxylic acid, 3-chloro-1,6-dihydro-6-oxo-, ethyl ester
CAS No: 1214379-11-9 Catalog No: AG0014XT MDL No:
Product Description
Catalog Number:
AG0014XT
Chemical Name:
2-Pyridinecarboxylic acid, 3-chloro-1,6-dihydro-6-oxo-, ethyl ester
CAS Number:
1214379-11-9
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
IUPAC Name:
ethyl 3-chloro-6-oxo-1H-pyridine-2-carboxylate
InChI:
InChI=1S/C8H8ClNO3/c1-2-13-8(12)7-5(9)3-4-6(11)10-7/h3-4H,2H2,1H3,(H,10,11)
InChI Key:
GVJFQWZVONGFLP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)ccc(=O)[nH]1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.606g/mol
Monoisotopic Mass:
201.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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