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399039-38-4 | 2-Naphthalenol, 1-[(E)-(8-quinolinylimino)methyl]-
CAS No: 399039-38-4 Catalog No: AG0076K7 MDL No:
Product Description
Catalog Number:
AG0076K7
Chemical Name:
2-Naphthalenol, 1-[(E)-(8-quinolinylimino)methyl]-
CAS Number:
399039-38-4
Molecular Formula:
C20H14N2O
Molecular Weight:
298.3380
IUPAC Name:
1-(quinolin-8-yliminomethyl)naphthalen-2-ol
InChI:
InChI=1S/C20H14N2O/c23-19-11-10-14-5-1-2-8-16(14)17(19)13-22-18-9-3-6-15-7-4-12-21-20(15)18/h1-13,23H
InChI Key:
NYATZZYCIAUYIB-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1/C=N/c1cccc3c1nccc3)cccc2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.345g/mol
Monoisotopic Mass:
298.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Dichlorido[1-(8-quinolylimino-meth-yl)-2-naphtholato]iron(III). | Acta crystallographica. Section E, Structure reports online 20090701 |
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