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Home > Bromides > 1196959-77-9
1196959-77-9 | 2-Pyridinecarboxylic acid, 3-bromo-5-ethoxy-1,6-dihydro-6-oxo-, methyl ester
CAS No: 1196959-77-9 Catalog No: AG000PFV MDL No:
Product Description
Catalog Number:
AG000PFV
Chemical Name:
2-Pyridinecarboxylic acid, 3-bromo-5-ethoxy-1,6-dihydro-6-oxo-, methyl ester
CAS Number:
1196959-77-9
Molecular Formula:
C9H10BrNO4
Molecular Weight:
276.0840
IUPAC Name:
methyl 3-bromo-5-ethoxy-6-oxo-1H-pyridine-2-carboxylate
InChI:
InChI=1S/C9H10BrNO4/c1-3-15-6-4-5(10)7(9(13)14-2)11-8(6)12/h4H,3H2,1-2H3,(H,11,12)
InChI Key:
KVZZTHRTURSVQI-UHFFFAOYSA-N
SMILES:
CCOc1cc(Br)c([nH]c1=O)C(=O)OC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.979g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.086g/mol
Monoisotopic Mass:
274.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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