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885281-38-9 | Imidazo[1,2-a]pyridine-2-carboxylicacid, 3-iodo-5-nitro-, ethyl ester
CAS No: 885281-38-9 Catalog No: AG0046RF MDL No:MFCD06796253
Product Description
Catalog Number:
AG0046RF
Chemical Name:
Imidazo[1,2-a]pyridine-2-carboxylicacid, 3-iodo-5-nitro-, ethyl ester
CAS Number:
885281-38-9
Molecular Formula:
C10H8IN3O4
Molecular Weight:
361.0927
MDL Number:
MFCD06796253
IUPAC Name:
ethyl 3-iodo-5-nitroimidazo[1,2-a]pyridine-2-carboxylate
InChI:
InChI=1S/C10H8IN3O4/c1-2-18-10(15)8-9(11)13-6(12-8)4-3-5-7(13)14(16)17/h3-5H,2H2,1H3
InChI Key:
NRLJEUJCVVCUSH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2n(c1I)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.956g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.095g/mol
Monoisotopic Mass:
360.956g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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