Cas no 32730-83-9 (1-Pentanone, 1-(2-iodophenyl)-)
32730-83-9 structure
Product Name:1-Pentanone, 1-(2-iodophenyl)-
CAS No:32730-83-9
MF:C11H13IO
MW:288.124795675278
CID:1451519
PubChem ID:11483084
Update Time:2025-04-20
1-Pentanone, 1-(2-iodophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone, 1-(2-iodophenyl)-
- 1-(2-iodophenyl)pentan-1-one
- 32730-83-9
- SCHEMBL13356500
- DTXSID40467370
- o-Pentanoyliodobenzene
-
- Inchi： 1S/C11H13IO/c1-2-3-8-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8H2,1H3
- InChI Key： YHYQLFUZLBIJJH-UHFFFAOYSA-N
- SMILES： IC1C=CC=CC=1C(CCCC)=O
Computed Properties
- Exact Mass: 288.00069
- Monoisotopic Mass: 288.00111g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Pentanone, 1-(2-iodophenyl)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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