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207922-23-4 | Phenol, 2-[[(5-iodo-8-quinolinyl)imino]methyl]-
CAS No: 207922-23-4 Catalog No: AG002JDI MDL No:
Product Description
Catalog Number:
AG002JDI
Chemical Name:
Phenol, 2-[[(5-iodo-8-quinolinyl)imino]methyl]-
CAS Number:
207922-23-4
Molecular Formula:
C16H11IN2O
Molecular Weight:
374.1758
IUPAC Name:
2-[(5-iodoquinolin-8-yl)iminomethyl]phenol
InChI:
InChI=1S/C16H11IN2O/c17-13-7-8-14(16-12(13)5-3-9-18-16)19-10-11-4-1-2-6-15(11)20/h1-10,20H
InChI Key:
OKQMVDSIDZRSCB-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C=Nc1ccc(c2c1nccc2)I
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.992g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.181g/mol
Monoisotopic Mass:
373.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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