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90842-69-6 | Ethanone, 2-(acetyloxy)-1-(4-iodophenyl)-
CAS No: 90842-69-6 Catalog No: AG006H93 MDL No:
Product Description
Catalog Number:
AG006H93
Chemical Name:
Ethanone, 2-(acetyloxy)-1-(4-iodophenyl)-
CAS Number:
90842-69-6
Molecular Formula:
C10H9IO3
Molecular Weight:
304.0811
IUPAC Name:
[2-(4-iodophenyl)-2-oxoethyl] acetate
InChI:
InChI=1S/C10H9IO3/c1-7(12)14-6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChI Key:
PZIYCXOHBBTRAK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)I)COC(=O)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.083g/mol
Monoisotopic Mass:
303.96g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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