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184959-58-8 | 1,10-Phenanthroline, 2,9-bis[4-[2-(2-iodoethoxy)ethoxy]phenyl]-
CAS No: 184959-58-8 Catalog No: AG007RU8 MDL No:
Product Description
Catalog Number:
AG007RU8
Chemical Name:
1,10-Phenanthroline, 2,9-bis[4-[2-(2-iodoethoxy)ethoxy]phenyl]-
CAS Number:
184959-58-8
Molecular Formula:
C32H30I2N2O4
Molecular Weight:
760.4005
IUPAC Name:
2,9-bis[4-[2-(2-iodoethoxy)ethoxy]phenyl]-1,10-phenanthroline
InChI:
InChI=1S/C32H30I2N2O4/c33-15-17-37-19-21-39-27-9-3-23(4-10-27)29-13-7-25-1-2-26-8-14-30(36-32(26)31(25)35-29)24-5-11-28(12-6-24)40-22-20-38-18-16-34/h1-14H,15-22H2
InChI Key:
CXGWEKKILLCASS-UHFFFAOYSA-N
SMILES:
ICCOCCOc1ccc(cc1)c1ccc2c(n1)c1nc(ccc1cc2)c1ccc(cc1)OCCOCCI
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
760.03g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
760.411g/mol
Monoisotopic Mass:
760.03g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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