Cas no 63990-67-0 (Ethanone,1-(3,5-dibromo-2,4,6-trihydroxyphenyl)-)
63990-67-0 structure
Product Name:Ethanone,1-(3,5-dibromo-2,4,6-trihydroxyphenyl)-
CAS No:63990-67-0
MF:C8H6Br2O4
MW:325.938841342926
CID:510194
PubChem ID:46176
Update Time:2025-04-19
Ethanone,1-(3,5-dibromo-2,4,6-trihydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(3,5-dibromo-2,4,6-trihydroxyphenyl)-
- 1-(3,5-dibromo-2,4,6-trihydroxyphenyl)ethanone
- 3',5'-Dibromo-2',4',6'-trihydroxyacetophenone
-
- Inchi： 1S/C8H6Br2O4/c1-2(11)3-6(12)4(9)8(14)5(10)7(3)13/h12-14H,1H3
- InChI Key： LBLJLTFUJGPYID-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=C(C(C)=O)C=1O)O)Br)O
Computed Properties
- Exact Mass: 323.86318
- Monoisotopic Mass: 323.86328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 219
- 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: 2.5
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
Ethanone,1-(3,5-dibromo-2,4,6-trihydroxyphenyl)- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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5. 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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