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69716-18-3 | 1-Phenoxyisoquinoline
CAS No: 69716-18-3 Catalog No: AG01EX09 MDL No:
Product Description
Catalog Number:
AG01EX09
Chemical Name:
1-Phenoxyisoquinoline
CAS Number:
69716-18-3
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
1-phenoxyisoquinoline
InChI:
InChI=1S/C15H11NO/c1-2-7-13(8-3-1)17-15-14-9-5-4-6-12(14)10-11-16-15/h1-11H
InChI Key:
NISCOKWSILJOMN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1nccc2c1cccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Microwave-assisted synthesis of quinoline, isoquinoline, quinoxaline and quinazoline derivatives as CB2 receptor agonists. | Bioorganic & medicinal chemistry 20110115 |
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