Cas no 100191-51-3 (1-Chloro-2-iodo-3,5-dinitrobenzene)
100191-51-3 structure
Product Name:1-Chloro-2-iodo-3,5-dinitrobenzene
CAS No:100191-51-3
MF:C6H2ClIN2O4
MW:328.44855260849
CID:2860573
Update Time:2023-08-10
1-Chloro-2-iodo-3,5-dinitrobenzene Chemical and Physical Properties
Names and Identifiers
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- 1-Chloro-2-iodo-3,5-dinitrobenzene
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- Inchi： 1S/C6H2ClIN2O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H
- InChI Key： FAIFMVVYIQVIJO-UHFFFAOYSA-N
- SMILES： IC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
Computed Properties
- Exact Mass: 327.87478g/mol
- Monoisotopic Mass: 327.87478g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 253
- 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
- Molecular Weight: 328.45g/mol
- XLogP3: 2.9
- Topological Polar Surface Area: 91.6
1-Chloro-2-iodo-3,5-dinitrobenzene Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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