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84922-34-9 | Phenol, 2-[(6-quinolinylimino)methyl]-
CAS No: 84922-34-9 Catalog No: AG004PPN MDL No:
Product Description
Catalog Number:
AG004PPN
Chemical Name:
Phenol, 2-[(6-quinolinylimino)methyl]-
CAS Number:
84922-34-9
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
2-(quinolin-6-yliminomethyl)phenol
InChI:
InChI=1S/C16H12N2O/c19-16-6-2-1-4-13(16)11-18-14-7-8-15-12(10-14)5-3-9-17-15/h1-11,19H
InChI Key:
SVTZUXNEUAIBSQ-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C=Nc1ccc2c(c1)cccn2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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