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Home > Bromides > 1313712-72-9
1313712-72-9 | Imidazo[1,2-a]pyridine-2-carboxylic acid, 8-bromo-6-nitro-, ethyl ester
CAS No: 1313712-72-9 Catalog No: AG000W1J MDL No:
Product Description
Catalog Number:
AG000W1J
Chemical Name:
Imidazo[1,2-a]pyridine-2-carboxylic acid, 8-bromo-6-nitro-, ethyl ester
CAS Number:
1313712-72-9
Molecular Formula:
C10H8BrN3O4
Molecular Weight:
314.0922
IUPAC Name:
ethyl 8-bromo-6-nitroimidazo[1,2-a]pyridine-2-carboxylate
InChI:
InChI=1S/C10H8BrN3O4/c1-2-18-10(15)8-5-13-4-6(14(16)17)3-7(11)9(13)12-8/h3-5H,2H2,1H3
InChI Key:
KUKFEJRSKIUIIC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn2cc(nc2c(c1)Br)C(=O)OCC
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.97g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.095g/mol
Monoisotopic Mass:
312.97g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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