Cas no 50371-53-4 (Ethanone, 2,2,2-trichloro-1-(4,5-diiodo-1H-pyrrol-2-yl)-)
50371-53-4 structure
Product Name:Ethanone, 2,2,2-trichloro-1-(4,5-diiodo-1H-pyrrol-2-yl)-
CAS No:50371-53-4
MF:C6H2Cl3I2NO
MW:464.254123210907
CID:4009042
PubChem ID:20359854
Update Time:2025-04-22
Ethanone, 2,2,2-trichloro-1-(4,5-diiodo-1H-pyrrol-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 2,2,2-trichloro-1-(4,5-diiodo-1H-pyrrol-2-yl)-
- DTXSID401212997
- 2,2,2-trichloro-1-(4,5-diiodo-1H-pyrrol-2-yl)ethanone
- SCHEMBL11607243
- 50371-53-4
-
- Inchi： 1S/C6H2Cl3I2NO/c7-6(8,9)4(13)3-1-2(10)5(11)12-3/h1,12H
- InChI Key： SQKFCPZAWPQZBJ-UHFFFAOYSA-N
- SMILES： IC1=C(C=C(C(C(Cl)(Cl)Cl)=O)N1)I
Computed Properties
- Exact Mass: 462.72914Da
- Monoisotopic Mass: 462.72914Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 220
- 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: 3.9
- Topological Polar Surface Area: 32.9?2
Ethanone, 2,2,2-trichloro-1-(4,5-diiodo-1H-pyrrol-2-yl)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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