Cas no 88420-38-6 (Ethanone, 1-(5-bromo-2,4-dihydroxy-3-propylphenyl)-)
88420-38-6 structure
Product Name:Ethanone, 1-(5-bromo-2,4-dihydroxy-3-propylphenyl)-
CAS No:88420-38-6
MF:C11H13BrO3
MW:273.123122930527
CID:633514
PubChem ID:13389171
Update Time:2025-04-19
Ethanone, 1-(5-bromo-2,4-dihydroxy-3-propylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(5-bromo-2,4-dihydroxy-3-propylphenyl)-
- 1-(5-bromo-2,4-dihydroxy-3-propylphenyl)ethanone
- 88420-38-6
- 1-(5-Bromo-2,4-dihydroxy-3-propylphenyl)ethan-1-one
- DTXSID70539094
- SCHEMBL10687785
- RGJUPKBEPQXWQQ-UHFFFAOYSA-N
- 1-(5-bromo-2,4-dihydroxy-3-propylphenyl)-ethanone
-
- Inchi： 1S/C11H13BrO3/c1-3-4-7-10(14)8(6(2)13)5-9(12)11(7)15/h5,14-15H,3-4H2,1-2H3
- InChI Key： RGJUPKBEPQXWQQ-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(C)=O)C(=C(C=1O)CCC)O
Computed Properties
- Exact Mass: 272.00481g/mol
- Monoisotopic Mass: 272.00481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 232
- 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: 3.5
- Topological Polar Surface Area: 57.5?2
Ethanone, 1-(5-bromo-2,4-dihydroxy-3-propylphenyl)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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