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1332605-92-1 | Imidazo[1,2-a]pyridine-2-carboxylic acid, 8-bromo-6-nitro-, ethyl ester, hydrobromide (1:1)
CAS No: 1332605-92-1 Catalog No: AG0014I0 MDL No:
Product Description
Catalog Number:
AG0014I0
Chemical Name:
Imidazo[1,2-a]pyridine-2-carboxylic acid, 8-bromo-6-nitro-, ethyl ester, hydrobromide (1:1)
CAS Number:
1332605-92-1
Molecular Formula:
C10H9Br2N3O4
Molecular Weight:
395.0042
IUPAC Name:
ethyl 8-bromo-6-nitroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
InChI:
InChI=1S/C10H8BrN3O4.BrH/c1-2-18-10(15)8-5-13-4-6(14(16)17)3-7(11)9(13)12-8;/h3-5H,2H2,1H3;1H
InChI Key:
RIXGMVGJZBEILK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn2cc(nc2c(c1)Br)C(=O)OCC.Br
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.894g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.007g/mol
Monoisotopic Mass:
392.896g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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