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87533-53-7 | Ethanone, 1,1'-(5-iodo-1,3-phenylene)bis-
CAS No: 87533-53-7 Catalog No: AG004H49 MDL No:
Product Description
Catalog Number:
AG004H49
Chemical Name:
Ethanone, 1,1'-(5-iodo-1,3-phenylene)bis-
CAS Number:
87533-53-7
Molecular Formula:
C10H9IO2
Molecular Weight:
288.0817
IUPAC Name:
1-(3-acetyl-5-iodophenyl)ethanone
InChI:
InChI=1S/C10H9IO2/c1-6(12)8-3-9(7(2)13)5-10(11)4-8/h3-5H,1-2H3
InChI Key:
OPFGOFIVPAFQMJ-UHFFFAOYSA-N
SMILES:
Ic1cc(cc(c1)C(=O)C)C(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.084g/mol
Monoisotopic Mass:
287.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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