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160603-05-4 | Isoquinoline, 1,1'-(1,3-phenylene)bis-
CAS No: 160603-05-4 Catalog No: AG001S2Q MDL No:
Product Description
Catalog Number:
AG001S2Q
Chemical Name:
Isoquinoline, 1,1'-(1,3-phenylene)bis-
CAS Number:
160603-05-4
Molecular Formula:
C24H16N2
Molecular Weight:
332.3972
IUPAC Name:
1-(3-isoquinolin-1-ylphenyl)isoquinoline
InChI:
InChI=1S/C24H16N2/c1-3-10-21-17(6-1)12-14-25-23(21)19-8-5-9-20(16-19)24-22-11-4-2-7-18(22)13-15-26-24/h1-16H
InChI Key:
ZXUBBXHGUTZRAW-UHFFFAOYSA-N
SMILES:
c1cc(cc(c1)c1nccc2c1cccc2)c1nccc2c1cccc2
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.406g/mol
Monoisotopic Mass:
332.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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