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234-61-7 | Imidazo[5,1-a]isoquinoline
CAS No: 234-61-7 Catalog No: AG002N40 MDL No:
Product Description
Catalog Number:
AG002N40
Chemical Name:
Imidazo[5,1-a]isoquinoline
CAS Number:
234-61-7
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
imidazo[5,1-a]isoquinoline
InChI:
InChI=1S/C11H8N2/c1-2-4-10-9(3-1)5-6-13-8-12-7-11(10)13/h1-8H
InChI Key:
ZAVXICQEZRMZHE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1cncn1cc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Complexes of Schiff bases and intermediates in the copper-catalyzed oxidative heterocyclization by atmospheric oxygen. | Inorganic chemistry 20031229 |
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