Cas no 728019-17-8 (1,3-Propanedione, 1,3-bis(5-bromo-3-pyridinyl)-)
728019-17-8 structure
Product Name:1,3-Propanedione, 1,3-bis(5-bromo-3-pyridinyl)-
CAS No:728019-17-8
MF:C13H8Br2N2O2
MW:384.022821426392
CID:4160147
PubChem ID:57444559
Update Time:2025-04-24
1,3-Propanedione, 1,3-bis(5-bromo-3-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanedione, 1,3-bis(5-bromo-3-pyridinyl)-
- DB-092830
- 728019-17-8
- SCHEMBL5094634
-
- Inchi： 1S/C13H8Br2N2O2/c14-10-1-8(4-16-6-10)12(18)3-13(19)9-2-11(15)7-17-5-9/h1-2,4-7H,3H2
- InChI Key： PVNSYHUWCFIQIE-UHFFFAOYSA-N
- SMILES： C(C1=CC(Br)=CN=C1)(=O)CC(C1=CC(Br)=CN=C1)=O
Computed Properties
- Exact Mass: 383.89320Da
- Monoisotopic Mass: 381.89525Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 320
- 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: 2.4
- Topological Polar Surface Area: 59.9?2
1,3-Propanedione, 1,3-bis(5-bromo-3-pyridinyl)- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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