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Home > Imidazoles > 904813-81-6
904813-81-6 | 2-BENZO[1,3]DIOXOL-5-YL-6-NITRO-IMIDAZO[1,2-A]PYRIDINE
CAS No: 904813-81-6 Catalog No: AG006P7U MDL No:MFCD06660416
Product Description
Catalog Number:
AG006P7U
Chemical Name:
2-BENZO[1,3]DIOXOL-5-YL-6-NITRO-IMIDAZO[1,2-A]PYRIDINE
CAS Number:
904813-81-6
Molecular Formula:
C14H9N3O4
Molecular Weight:
283.2390
MDL Number:
MFCD06660416
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-6-nitroimidazo[1,2-a]pyridine
InChI:
InChI=1S/C14H9N3O4/c18-17(19)10-2-4-14-15-11(7-16(14)6-10)9-1-3-12-13(5-9)21-8-20-12/h1-7H,8H2
InChI Key:
FWRRIXYWKKPLSX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2n(c1)cc(n2)c1ccc2c(c1)OCO2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.243g/mol
Monoisotopic Mass:
283.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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