Cas no 64945-33-1 (3,4,5,6,7-Pentabromo-1,2-dimethyl-1H-indole)
64945-33-1 structure
Product Name:3,4,5,6,7-Pentabromo-1,2-dimethyl-1H-indole
CAS No:64945-33-1
MF:C10H6Br5N
MW:539.681338787079
CID:2793089
PubChem ID:71371091
Update Time:2025-04-21
3,4,5,6,7-Pentabromo-1,2-dimethyl-1H-indole Chemical and Physical Properties
Names and Identifiers
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- 64945-33-1
- DTXSID70794045
- 3,4,5,6,7-Pentabromo-1,2-dimethyl-1H-indole
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- Inchi： 1S/C10H6Br5N/c1-3-5(11)4-6(12)7(13)8(14)9(15)10(4)16(3)2/h1-2H3
- InChI Key： DOQZEHAEQVKNJH-UHFFFAOYSA-N
- SMILES： BrC1=C(C)N(C)C2C(=C(C(=C(C=21)Br)Br)Br)Br
Computed Properties
- Exact Mass: 538.63761Da
- Monoisotopic Mass: 534.64171Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- 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: 5.9
- Topological Polar Surface Area: 4.9?2
3,4,5,6,7-Pentabromo-1,2-dimethyl-1H-indole Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
64945-33-1 (3,4,5,6,7-Pentabromo-1,2-dimethyl-1H-indole) Related Products
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