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102331-53-3 | 1,10-Phenanthroline, 4,7-diphenyl-2,9-bis(trichloromethyl)-
CAS No: 102331-53-3 Catalog No: AG00077Y MDL No:
Product Description
Catalog Number:
AG00077Y
Chemical Name:
1,10-Phenanthroline, 4,7-diphenyl-2,9-bis(trichloromethyl)-
CAS Number:
102331-53-3
Molecular Formula:
C26H14Cl6N2
Molecular Weight:
567.1208
IUPAC Name:
4,7-diphenyl-2,9-bis(trichloromethyl)-1,10-phenanthroline
InChI:
InChI=1S/C26H14Cl6N2/c27-25(28,29)21-13-19(15-7-3-1-4-8-15)17-11-12-18-20(16-9-5-2-6-10-16)14-22(26(30,31)32)34-24(18)23(17)33-21/h1-14H
InChI Key:
ATTYXOQGENZUTQ-UHFFFAOYSA-N
SMILES:
ClC(c1cc(c2ccccc2)c2c(n1)c1nc(cc(c1cc2)c1ccccc1)C(Cl)(Cl)Cl)(Cl)Cl
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
565.926g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
567.112g/mol
Monoisotopic Mass:
563.929g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
Literature
| Title | Journal |
|---|---|
| 4,7-Diphenyl-2,9-bis-(trichloro-meth-yl)-1,10-phenanthroline. | Acta crystallographica. Section E, Structure reports online 20100101 |
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