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927439-59-6 | 1,10-Phenanthroline, 2,9-bis(5-iodo-2-thienyl)-
CAS No: 927439-59-6 Catalog No: AG00615B MDL No:
Product Description
Catalog Number:
AG00615B
Chemical Name:
1,10-Phenanthroline, 2,9-bis(5-iodo-2-thienyl)-
CAS Number:
927439-59-6
Molecular Formula:
C20H10I2N2S2
Molecular Weight:
596.2457
IUPAC Name:
2,9-bis(5-iodothiophen-2-yl)-1,10-phenanthroline
InChI:
InChI=1S/C20H10I2N2S2/c21-17-9-7-15(25-17)13-5-3-11-1-2-12-4-6-14(16-8-10-18(22)26-16)24-20(12)19(11)23-13/h1-10H
InChI Key:
ODPFXLGQVCCIMC-UHFFFAOYSA-N
SMILES:
Ic1ccc(s1)c1ccc2c(n1)c1nc(ccc1cc2)c1ccc(s1)I
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
595.837g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
596.243g/mol
Monoisotopic Mass:
595.837g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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