Cas no 16733-29-2 (Benzenebutanoic acid,3,5-dibromo-g-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-g-methyl-)
16733-29-2 structure
Product Name:Benzenebutanoic acid,3,5-dibromo-g-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-g-methyl-
CAS No:16733-29-2
MF:C17H14Br4O4
MW:601.906662464142
CID:224623
PubChem ID:228569
Update Time:2025-04-19
Benzenebutanoic acid,3,5-dibromo-g-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-g-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid,3,5-dibromo-g-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-g-methyl-
- 4,4-bis(3,5-dibromo-4-hydroxyphenyl)pentanoic acid
- 4,4-Bis(3,5-dibrom-4-hydroxyphenyl)pentansaeure
- AC1L5GBO
- AC1Q25QZ
- CHEMBL1611308
- NCIStruc1_000405
- NCIStruc2_000107
- NSC21588
- NCI21588
- NCGC00013277-02
- NSC-21588
- CCG-36336
- 16733-29-2
- C17H14Br4O4
- SCHEMBL14286207
- NCGC00013277
- NCI60_001803
- 4,4-BIS(3,5-DIBROMO-4-HYDROXYPHENYL)VALERIC ACID
- NCGC00096396-01
- AKOS024428966
- DTXSID40281412
-
- Inchi： 1S/C17H14Br4O4/c1-17(3-2-14(22)23,8-4-10(18)15(24)11(19)5-8)9-6-12(20)16(25)13(21)7-9/h4-7,24-25H,2-3H2,1H3,(H,22,23)
- InChI Key： OFLOJYUEVWVCRY-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=C(C=1)C(C)(C1C=C(C(=C(C=1)Br)O)Br)CCC(=O)O)Br)O
Computed Properties
- Exact Mass: 597.76300
- Monoisotopic Mass: 597.763
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 5
- Complexity: 424
- 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: 6.1
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76000
- LogP: 6.31860
Benzenebutanoic acid,3,5-dibromo-g-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-g-methyl- Related Literature
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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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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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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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