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118184-88-6 | 9,10-Anthracenedione, 1-(benzoyloxy)-2-iodo-
CAS No: 118184-88-6 Catalog No: AG0081BI MDL No:
Product Description
Catalog Number:
AG0081BI
Chemical Name:
9,10-Anthracenedione, 1-(benzoyloxy)-2-iodo-
CAS Number:
118184-88-6
Molecular Formula:
C21H11IO4
Molecular Weight:
454.2141
IUPAC Name:
(2-iodo-9,10-dioxoanthracen-1-yl) benzoate
InChI:
InChI=1S/C21H11IO4/c22-16-11-10-15-17(19(24)14-9-5-4-8-13(14)18(15)23)20(16)26-21(25)12-6-2-1-3-7-12/h1-11H
InChI Key:
GTTWUJPDVXIMRH-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1OC(=O)c1ccccc1)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.97g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.219g/mol
Monoisotopic Mass:
453.97g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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