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881594-23-6 | 2-(3-nitrophenyl)imidazo[2,1-a]isoquinoline
CAS No: 881594-23-6 Catalog No: AG01EY5Z MDL No:
Product Description
Catalog Number:
AG01EY5Z
Chemical Name:
2-(3-nitrophenyl)imidazo[2,1-a]isoquinoline
CAS Number:
881594-23-6
Molecular Formula:
C17H11N3O2
Molecular Weight:
289.2881
IUPAC Name:
2-(3-nitrophenyl)imidazo[2,1-a]isoquinoline
InChI:
InChI=1S/C17H11N3O2/c21-20(22)14-6-3-5-13(10-14)16-11-19-9-8-12-4-1-2-7-15(12)17(19)18-16/h1-11H
InChI Key:
AKVXKNMNQVYNNZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cn2c(n1)c1ccccc1cc2
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.294g/mol
Monoisotopic Mass:
289.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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