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67625-34-7 | Imidazo[1,2-a]pyridine-2-carboxylic acid, 8-methyl-3-nitro-, ethyl ester
CAS No: 67625-34-7 Catalog No: AG005LKM MDL No:
Product Description
Catalog Number:
AG005LKM
Chemical Name:
Imidazo[1,2-a]pyridine-2-carboxylic acid, 8-methyl-3-nitro-, ethyl ester
CAS Number:
67625-34-7
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
IUPAC Name:
ethyl 8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylate
InChI:
InChI=1S/C11H11N3O4/c1-3-18-11(15)8-10(14(16)17)13-6-4-5-7(2)9(13)12-8/h4-6H,3H2,1-2H3
InChI Key:
ISISRSMPDZWMFM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2n(c1[N+](=O)[O-])cccc2C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/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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