Cas no 649551-87-1 (Ethanone, 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-)
649551-87-1 structure
Product Name:Ethanone, 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-
CAS No:649551-87-1
MF:C10H11BrO2
MW:243.097142457962
CID:411474
PubChem ID:57887308
Update Time:2025-04-19
Ethanone, 1-(5-bromo-4-ethyl-2-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(5-bromo-4-ethyl-2-hydroxyphenyl)-
- 1-(5-bromo-4-ethyl-2-hydroxyphenyl)ethanone
- 649551-87-1
- SCHEMBL4035997
- DTXSID50728181
- 1-(5-Bromo-4-ethyl-2-hydroxyphenyl)ethan-1-one
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- Inchi： 1S/C10H11BrO2/c1-3-7-4-10(13)8(6(2)12)5-9(7)11/h4-5,13H,3H2,1-2H3
- InChI Key： FCVNPRCPJGZVSO-UHFFFAOYSA-N
- SMILES： BrC1=CC(C(C)=O)=C(C=C1CC)O
Computed Properties
- Exact Mass: 241.99423
- Monoisotopic Mass: 241.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 193
- 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: 3.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Ethanone, 1-(5-bromo-4-ethyl-2-hydroxyphenyl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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