Cas no 41498-12-8 (4,5-dibromocyclopent-4-ene-1,3-dione)
41498-12-8 structure
Product Name:4,5-dibromocyclopent-4-ene-1,3-dione
CAS No:41498-12-8
MF:C5H2Br2O2
MW:253.876180171967
CID:927022
PubChem ID:293117
Update Time:2025-04-19
4,5-dibromocyclopent-4-ene-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 4,5-dibromocyclopent-4-ene-1,3-dione
- 1,2-Dibrom-cyclopenten-(1)-dion-(3,5)
- 1,2-Dichlor-cyclopenten-(1)-dion-(3,5)
- 4,5-Dibrom-4-cyclopenten-1,3-dion
- 4,5-Dibrom-cyclopent-4-en-1,3-dion
- 4,5-dibromo-4-cyclopentene-1,3-dione
- 4,5-dibromo-cyclopent-4-ene-1,3-dione
- AC1L6JHF
- AC1Q6D3B
- AG-K-66687
- AR-1F8315
- CTK4I4925
- NSC159435
- NSC 159435
- NSC-159435
- 41498-12-8
- DTXSID80303627
-
- Inchi： 1S/C5H2Br2O2/c6-4-2(8)1-3(9)5(4)7/h1H2
- InChI Key： QSAOJLXFMVFXFP-UHFFFAOYSA-N
- SMILES： BrC1=C(C(CC1=O)=O)Br
Computed Properties
- Exact Mass: 251.84206
- Monoisotopic Mass: 251.84215g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 195
- 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: 1.8
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
- LogP: 1.52970
4,5-dibromocyclopent-4-ene-1,3-dione Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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