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Home > Imidazoles > 731858-76-7
731858-76-7 | 9,10-Anthracenedione, 3-(1H-benzimidazol-2-yl)-1,6,8-trimethoxy-
CAS No: 731858-76-7 Catalog No: AG005FQ9 MDL No:
Product Description
Catalog Number:
AG005FQ9
Chemical Name:
9,10-Anthracenedione, 3-(1H-benzimidazol-2-yl)-1,6,8-trimethoxy-
CAS Number:
731858-76-7
Molecular Formula:
C24H18N2O5
Molecular Weight:
414.4101
IUPAC Name:
3-(1H-benzimidazol-2-yl)-1,6,8-trimethoxyanthracene-9,10-dione
InChI:
InChI=1S/C24H18N2O5/c1-29-13-10-15-21(19(11-13)31-3)23(28)20-14(22(15)27)8-12(9-18(20)30-2)24-25-16-6-4-5-7-17(16)26-24/h4-11H,1-3H3,(H,25,26)
InChI Key:
QLCFWICZHLASCZ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)C(=O)c1c(C2=O)c(OC)cc(c1)c1nc2c([nH]1)cccc2
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.122g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.417g/mol
Monoisotopic Mass:
414.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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