Cas no 1254514-19-6 (4,6-Dibromo-1-iodoisoquinoline)
1254514-19-6 structure
Product Name:4,6-Dibromo-1-iodoisoquinoline
CAS No:1254514-19-6
MF:C9H4Br2IN
MW:412.847232818604
CID:3160430
PubChem ID:129962399
Update Time:2025-04-21
4,6-Dibromo-1-iodoisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 4,6-Dibromo-1-iodoisoquinoline
- 1254514-19-6
-
- Inchi： 1S/C9H4Br2IN/c10-5-1-2-6-7(3-5)8(11)4-13-9(6)12/h1-4H
- InChI Key： DTRHXACGXUQSEP-UHFFFAOYSA-N
- SMILES： IC1C2C=CC(=CC=2C(=CN=1)Br)Br
Computed Properties
- Exact Mass: 412.77347Da
- Monoisotopic Mass: 410.77552Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 190
- 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: 4.2
- Topological Polar Surface Area: 12.9?2
4,6-Dibromo-1-iodoisoquinoline Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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