Cas no 62579-57-1 (1,1'-Biphenyl, 3-bromo-4'-iodo-4-nitro-)
62579-57-1 structure
Product Name:1,1'-Biphenyl, 3-bromo-4'-iodo-4-nitro-
CAS No:62579-57-1
MF:C12H7BrINO2
MW:403.99795460701
CID:439454
PubChem ID:71385037
Update Time:2025-04-19
1,1'-Biphenyl, 3-bromo-4'-iodo-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 3-bromo-4'-iodo-4-nitro-
- 2-bromo-4-(4-iodophenyl)-1-nitrobenzene
- 3-Bromo-4'-iodo-4-nitro-1,1'-biphenyl
- 62579-57-1
- DTXSID70807280
-
- Inchi： 1S/C12H7BrINO2/c13-11-7-9(3-6-12(11)15(16)17)8-1-4-10(14)5-2-8/h1-7H
- InChI Key： QYVBWLKCXZGPCM-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1)C1C=CC(=C(C=1)Br)[N+](=O)[O-]
Computed Properties
- Exact Mass: 402.87001
- Monoisotopic Mass: 402.87049g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 276
- 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: 4.7
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
1,1'-Biphenyl, 3-bromo-4'-iodo-4-nitro- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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5. 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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