Cas no 131359-44-9 (1-(5-Bromo-4-ethoxy-2-hydroxyphenyl)ethanone)
131359-44-9 structure
Product Name:1-(5-Bromo-4-ethoxy-2-hydroxyphenyl)ethanone
CAS No:131359-44-9
MF:C10H11BrO3
MW:259.096542596817
CID:2662672
PubChem ID:13803810
Update Time:2025-04-21
1-(5-Bromo-4-ethoxy-2-hydroxyphenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- ETHANONE, 1-(5-BROMO-4-ETHOXY-2-HYDROXYPHENYL)
- 1-(5-bromo-4-ethoxy-2-hydroxyphenyl)ethanone
- AKOS000295937
- 131359-44-9
- 1-(5-Bromo-4-ethoxy-2-hydroxyphenyl)ethanone
-
- Inchi： 1S/C10H11BrO3/c1-3-14-10-5-9(13)7(6(2)12)4-8(10)11/h4-5,13H,3H2,1-2H3
- InChI Key： MBOFCJIJELUIRJ-UHFFFAOYSA-N
- SMILES： BrC1=CC(C(C)=O)=C(C=C1OCC)O
Computed Properties
- Exact Mass: 257.98916Da
- Monoisotopic Mass: 257.98916Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 208
- 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: 2.8
- Topological Polar Surface Area: 46.5?2
1-(5-Bromo-4-ethoxy-2-hydroxyphenyl)ethanone Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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