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13329-40-3 | Ethanone, 1-(4-iodophenyl)-
CAS No: 13329-40-3 Catalog No: AG0014JS MDL No:MFCD00045320
Product Description
Catalog Number:
AG0014JS
Chemical Name:
Ethanone, 1-(4-iodophenyl)-
CAS Number:
13329-40-3
Molecular Formula:
C8H7IO
Molecular Weight:
246.0451
MDL Number:
MFCD00045320
IUPAC Name:
1-(4-iodophenyl)ethanone
InChI:
InChI=1S/C8H7IO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChI Key:
JZJWCDQGIPQBAO-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)I
EC Number:
236-372-8
NSC Number:
97396
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.047g/mol
Monoisotopic Mass:
245.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Bioconversion of iodoacetophenones by marine fungi. | Marine biotechnology (New York, N.Y.) 20120801 |
| Effects of a fluorescent Myosin light chain phosphatase inhibitor on prostate cancer cells. | Frontiers in oncology 20110101 |
| Synthesis and biological evaluation of NAS-21 and NAS-91 analogues as potential inhibitors of the mycobacterial FAS-II dehydratase enzyme Rv0636. | Microbiology (Reading, England) 20080701 |
| p-Chloro-, p-bromo- and two polymorphs of p-iodoacetophenone. | Acta crystallographica. Section C, Crystal structure communications 20040801 |
| 13C NMR study of halogen bonding of haloarenes: measurements of solvent effects and theoretical analysis. | Journal of the American Chemical Society 20040407 |
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