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75198-31-1

75198-31-1 | Imidazo[1,2-a]pyridine,3-(5-nitro-2-furanyl)-

CAS No: 75198-31-1 Catalog No: AG005CW2 MDL No:

Product Description

Catalog Number:
AG005CW2
Chemical Name:
Imidazo[1,2-a]pyridine,3-(5-nitro-2-furanyl)-
CAS Number:
75198-31-1
Molecular Formula:
C11H7N3O3
Molecular Weight:
229.1916
IUPAC Name:
3-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridine
InChI:
InChI=1S/C11H7N3O3/c15-14(16)11-5-4-9(17-11)8-7-12-10-3-1-2-6-13(8)10/h1-7H
InChI Key:
ZDFULRQJRIJLRF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)c1cnc2n1cccc2

Properties

Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.049g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.195g/mol
Monoisotopic Mass:
229.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

Title Journal
Carcinogenicity study of 3-(5-nitro-2-furyl)-imidazo(1,2-alpha) pyridine in mice and rats. Tumori 19800430

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