Cas no 194226-50-1 (2-bromo-1-(3-bromo-2-hydroxy-5-methylphenyl)ethanone)
194226-50-1 structure
Product Name:2-bromo-1-(3-bromo-2-hydroxy-5-methylphenyl)ethanone
CAS No:194226-50-1
MF:C9H8Br2O2
MW:307.966621398926
CID:1387015
PubChem ID:1393013
Update Time:2025-04-20
2-bromo-1-(3-bromo-2-hydroxy-5-methylphenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-1-(3-bromo-2-hydroxy-5-methylphenyl)ethanone
- ethanone, 2-bromo-1-(3-bromo-2-hydroxy-5-methylphenyl)-
- DTXSID80362658
- 194226-50-1
-
- Inchi： 1S/C9H8Br2O2/c1-5-2-6(8(12)4-10)9(13)7(11)3-5/h2-3,13H,4H2,1H3
- InChI Key： WPXJWZHNGFOPTP-UHFFFAOYSA-N
- SMILES： BrC1C=C(C)C=C(C(CBr)=O)C=1O
Computed Properties
- Exact Mass: 305.88904
- Monoisotopic Mass: 305.88910g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 196
- 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: 3.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-bromo-1-(3-bromo-2-hydroxy-5-methylphenyl)ethanone Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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