4,9-Dibromo-2,7--bis(2-ethylhexyl)benzo[lmn][3,8]phenanthroline-1,3,6,8-(2H,7H)-tetrarone


Chemical Name: 4,9-Dibromo-2,7--bis(2-ethylhexyl)benzo[lmn][3,8]phenanthroline-1,3,6,8-(2H,7H)-tetrarone
CAS Number: 1088205-02-0
Product Number: AG0091GS(AGN-PC-0WAG4A)
Synonyms:
MDL No:
Molecular Formula: C30H36Br2N2O4
Molecular Weight: 648.4258

Identification/Properties


Computed Properties
Molecular Weight:
648.436g/mol
XLogP3:
8.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
12
Exact Mass:
648.102g/mol
Monoisotopic Mass:
646.104g/mol
Topological Polar Surface Area:
74.8A^2
Heavy Atom Count:
38
Formal Charge:
0
Complexity:
841
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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