Cas no 62519-06-6 (Ethanone, 2-bromo-1-(methoxyphenyl)-)
62519-06-6 structure
Product Name:Ethanone, 2-bromo-1-(methoxyphenyl)-
CAS No:62519-06-6
MF:C9H9BrO2
MW:229.070562124252
CID:441822
Update Time:2024-01-29
Ethanone, 2-bromo-1-(methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 2-bromo-1-(methoxyphenyl)-
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- Inchi： 1S/C9H9BrO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5H,6H2,1H3
- InChI Key： GKNCPTLOPRDYMH-UHFFFAOYSA-N
- SMILES： C(=O)(C1=CC=CC=C1OC)CBr
Computed Properties
- Exact Mass: 227.97857
- Monoisotopic Mass: 227.979
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 159
- 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: 2.6
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Density: 1301
- Melting Point: 43-45℃
- Boiling Point: 130℃(1 torr)
- Flash Point: 123.2 °C
- Refractive Index: 1.554
- PSA: 26.3
- LogP: 2.27280
Ethanone, 2-bromo-1-(methoxyphenyl)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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