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Home > Bromides > 1021919-64-1
1021919-64-1 | 1H-Imidazo[4,5-b]pyridine-1-carboxylic acid, 6-bromo-2,3-dihydro-2-oxo-, ethyl ester
CAS No: 1021919-64-1 Catalog No: AG0006V6 MDL No:
Product Description
Catalog Number:
AG0006V6
Chemical Name:
1H-Imidazo[4,5-b]pyridine-1-carboxylic acid, 6-bromo-2,3-dihydro-2-oxo-, ethyl ester
CAS Number:
1021919-64-1
Molecular Formula:
C9H8BrN3O3
Molecular Weight:
286.0821
IUPAC Name:
ethyl 6-bromo-2-oxo-3H-imidazo[4,5-b]pyridine-1-carboxylate
InChI:
InChI=1S/C9H8BrN3O3/c1-2-16-9(15)13-6-3-5(10)4-11-7(6)12-8(13)14/h3-4H,2H2,1H3,(H,11,12,14)
InChI Key:
CGPYZMKXCRKQPH-UHFFFAOYSA-N
SMILES:
CCOC(=O)n1c(=O)[nH]c2c1cc(Br)cn2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.975g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.085g/mol
Monoisotopic Mass:
284.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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