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84922-35-0 | Phenol, 4-[(6-quinolinylimino)methyl]-
CAS No: 84922-35-0 Catalog No: AG008FMB MDL No:
Product Description
Catalog Number:
AG008FMB
Chemical Name:
Phenol, 4-[(6-quinolinylimino)methyl]-
CAS Number:
84922-35-0
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
4-(quinolin-6-yliminomethyl)phenol
InChI:
InChI=1S/C16H12N2O/c19-15-6-3-12(4-7-15)11-18-14-5-8-16-13(10-14)2-1-9-17-16/h1-11,19H
InChI Key:
JBDDOYYIYRLYBO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C=Nc1ccc2c(c1)cccn2
Properties
Complexity:
310
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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