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Home > Indoles and Oxindole > 26490-98-2
26490-98-2 | Ethanone, 1-[3-(acetyloxy)-5-iodo-1H-indol-1-yl]-
CAS No: 26490-98-2 Catalog No: AG002TFS MDL No:
Product Description
Catalog Number:
AG002TFS
Chemical Name:
Ethanone, 1-[3-(acetyloxy)-5-iodo-1H-indol-1-yl]-
CAS Number:
26490-98-2
Molecular Formula:
C12H10INO3
Molecular Weight:
343.1172
IUPAC Name:
(1-acetyl-5-iodoindol-3-yl) acetate
InChI:
InChI=1S/C12H10INO3/c1-7(15)14-6-12(17-8(2)16)10-5-9(13)3-4-11(10)14/h3-6H,1-2H3
InChI Key:
XOGNTWBEKXNMPX-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cn(c2c1cc(I)cc2)C(=O)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.971g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.12g/mol
Monoisotopic Mass:
342.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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