Cas no 131699-43-9 (Ethanone, 1-(5-bromo-4-butoxy-2-hydroxyphenyl)-)
131699-43-9 structure
Product Name:Ethanone, 1-(5-bromo-4-butoxy-2-hydroxyphenyl)-
CAS No:131699-43-9
MF:C12H15BrO3
MW:287.149703264236
CID:1229061
PubChem ID:71340915
Update Time:2025-04-20
Ethanone, 1-(5-bromo-4-butoxy-2-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 1-(5-bromo-4-butoxy-2-hydroxyphenyl)-
- 1-(5-bromo-4-butoxy-2-hydroxyphenyl)ethanone
- 131699-43-9
- DTXSID50767979
- 1-(5-Bromo-4-butoxy-2-hydroxyphenyl)ethan-1-one
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- Inchi： 1S/C12H15BrO3/c1-3-4-5-16-12-7-11(15)9(8(2)14)6-10(12)13/h6-7,15H,3-5H2,1-2H3
- InChI Key： XOGFVHUDTDLWHY-UHFFFAOYSA-N
- SMILES： BrC1=CC(C(C)=O)=C(C=C1OCCCC)O
Computed Properties
- Exact Mass: 286.02045
- Monoisotopic Mass: 286.02046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- 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: 3.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Ethanone, 1-(5-bromo-4-butoxy-2-hydroxyphenyl)- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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