Cas no 467420-07-1 ((2,4,6-Tribromobenzene-1,3,5-triyl)tris(methylene) triacetate)
467420-07-1 structure
Product Name:(2,4,6-Tribromobenzene-1,3,5-triyl)tris(methylene) triacetate
CAS No:467420-07-1
MF:C15H15Br3O6
MW:530.988003015518
CID:2639586
PubChem ID:101177191
Update Time:2025-04-21
(2,4,6-Tribromobenzene-1,3,5-triyl)tris(methylene) triacetate Chemical and Physical Properties
Names and Identifiers
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- 467420-07-1
- SCHEMBL19270496
- (2,4,6-Tribromobenzene-1,3,5-triyl)tris(methylene) triacetate
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- Inchi： 1S/C15H15Br3O6/c1-7(19)22-4-10-13(16)11(5-23-8(2)20)15(18)12(14(10)17)6-24-9(3)21/h4-6H2,1-3H3
- InChI Key： KCAMFKQYCLEVQZ-UHFFFAOYSA-N
- SMILES： BrC1C(COC(C)=O)=C(C(COC(C)=O)=C(C=1COC(C)=O)Br)Br
Computed Properties
- Exact Mass: 529.83983Da
- Monoisotopic Mass: 527.84188Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 388
- 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: 3.1
- Topological Polar Surface Area: 78.9?2
(2,4,6-Tribromobenzene-1,3,5-triyl)tris(methylene) triacetate Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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