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Home > Quinoline > 656233-73-7
656233-73-7 | Benzonitrile, 4-[5-(benzoyloxy)-1-methoxy-4-isoquinolinyl]-
CAS No: 656233-73-7 Catalog No: AG006QIY MDL No:
Product Description
Catalog Number:
AG006QIY
Chemical Name:
Benzonitrile, 4-[5-(benzoyloxy)-1-methoxy-4-isoquinolinyl]-
CAS Number:
656233-73-7
Molecular Formula:
C24H16N2O3
Molecular Weight:
380.3954
IUPAC Name:
[4-(4-cyanophenyl)-1-methoxyisoquinolin-5-yl] benzoate
InChI:
InChI=1S/C24H16N2O3/c1-28-23-19-8-5-9-21(29-24(27)18-6-3-2-4-7-18)22(19)20(15-26-23)17-12-10-16(14-25)11-13-17/h2-13,15H,1H3
InChI Key:
CMKCRJDUBIQYRL-UHFFFAOYSA-N
SMILES:
COc1ncc(c2c1cccc2OC(=O)c1ccccc1)c1ccc(cc1)C#N
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.116g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.403g/mol
Monoisotopic Mass:
380.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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