Cas no 52107-79-6 (Ethanone, 1-(2-iodo-3-methylphenyl)-)
52107-79-6 structure
Product Name:Ethanone, 1-(2-iodo-3-methylphenyl)-
CAS No:52107-79-6
MF:C9H9IO
MW:260.071635007858
CID:360622
PubChem ID:13952019
Update Time:2025-04-19
Ethanone, 1-(2-iodo-3-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(2-iodo-3-methylphenyl)-
- 1-(2-Iodo-3-methyl-phenyl)-ethanone
- 52107-79-6
- 2'-Iodo-3'-methylacetophenone
- SCHEMBL4067363
- 1-(2-Iodo-3-methylphenyl)ethanone
- DTXSID90553156
- BMUDGSSRVPNBJV-UHFFFAOYSA-N
- 1-(2-Iodo-3-methylphenyl)ethan-1-one
- InChI=1/C9H9IO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5H,1-2H
-
- Inchi： 1S/C9H9IO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5H,1-2H3
- InChI Key： BMUDGSSRVPNBJV-UHFFFAOYSA-N
- SMILES： IC1C(C)=CC=CC=1C(C)=O
Computed Properties
- Exact Mass: 259.96937
- Monoisotopic Mass: 259.96981g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 156
- 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: 2.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Ethanone, 1-(2-iodo-3-methylphenyl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
52107-79-6 (Ethanone, 1-(2-iodo-3-methylphenyl)-) Related Products
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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