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853348-57-9 | 1,10-Phenanthrolinium, 1-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)-, bromide
CAS No: 853348-57-9 Catalog No: AG004P7Y MDL No:
Product Description
Catalog Number:
AG004P7Y
Chemical Name:
1,10-Phenanthrolinium, 1-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)-, bromide
CAS Number:
853348-57-9
Molecular Formula:
C26H19BrN2O
Molecular Weight:
455.3459
IUPAC Name:
2-(1,10-phenanthrolin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone;bromide
InChI:
InChI=1S/C26H19N2O.BrH/c29-24(21-12-10-20(11-13-21)19-6-2-1-3-7-19)18-28-17-5-9-23-15-14-22-8-4-16-27-25(22)26(23)28;/h1-17H,18H2;1H/q+1;/p-1
InChI Key:
GKJIMMOKFPFSLT-UHFFFAOYSA-M
SMILES:
O=C(c1ccc(cc1)c1ccccc1)C[n+]1cccc2c1c1ncccc1cc2.[Br-]
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.068g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.355g/mol
Monoisotopic Mass:
454.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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