Cas no 67627-21-8 (Benzene,1,2,3,5-tetrachloro-4-iodo-6-nitro-)
67627-21-8 structure
Product Name:Benzene,1,2,3,5-tetrachloro-4-iodo-6-nitro-
CAS No:67627-21-8
MF:C6Cl4INO2
MW:386.786170005798
CID:528332
PubChem ID:188065
Update Time:2025-04-19
Benzene,1,2,3,5-tetrachloro-4-iodo-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2,3,5-tetrachloro-4-iodo-6-nitro-
- 1,2,3,5-tetrachloro-4-iodo-6-nitrobenzene
- DTXSID20217951
- 67627-21-8
- Benzene, 1,2,3,5-tetrachloro-4-iodo-6-nitro-
-
- Inchi： 1S/C6Cl4INO2/c7-1-2(8)5(11)4(10)6(3(1)9)12(13)14
- InChI Key： NPZIJAPKKLWSOR-UHFFFAOYSA-N
- SMILES： IC1=C(C(=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl)Cl
Computed Properties
- Exact Mass: 384.7725
- Monoisotopic Mass: 384.77279g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 238
- 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: 4.9
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
Benzene,1,2,3,5-tetrachloro-4-iodo-6-nitro- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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