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Home > Bromides > 1006365-26-9
1006365-26-9 | 2-Pyridinecarboxylic acid, 5-bromo-1,6-dihydro-3-methyl-6-oxo-, methyl ester
CAS No: 1006365-26-9 Catalog No: AG0002J4 MDL No:MFCD22033942
Product Description
Catalog Number:
AG0002J4
Chemical Name:
2-Pyridinecarboxylic acid, 5-bromo-1,6-dihydro-3-methyl-6-oxo-, methyl ester
CAS Number:
1006365-26-9
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD22033942
IUPAC Name:
methyl 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxylate
InChI:
InChI=1S/C8H8BrNO3/c1-4-3-5(9)7(11)10-6(4)8(12)13-2/h3H,1-2H3,(H,10,11)
InChI Key:
OWIWMVXMGAPPJS-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]c(=O)c(cc1C)Br
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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