Cas no 1374574-10-3 (5-Bromo-6-methyl-3H-2-benzofuran-1-one)
1374574-10-3 structure
Product Name:5-Bromo-6-methyl-3H-2-benzofuran-1-one
CAS No:1374574-10-3
MF:C9H7BrO2
MW:227.054682016373
CID:2124835
Update Time:2023-08-03
5-Bromo-6-methyl-3H-2-benzofuran-1-one Chemical and Physical Properties
Names and Identifiers
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- 5-bromo-6-methylisobenzofuran-1(3H)-one
- 5-Bromo-6-methylphthalide
- 5-Bromo-6-methyl-3H-2-benzofuran-1-one
-
- Inchi： 1S/C9H7BrO2/c1-5-2-7-6(3-8(5)10)4-12-9(7)11/h2-3H,4H2,1H3
- InChI Key： IRUDYCTYMRMENS-UHFFFAOYSA-N
- SMILES： BrC1=CC2COC(C=2C=C1C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 205
- Topological Polar Surface Area: 26.3
5-Bromo-6-methyl-3H-2-benzofuran-1-one Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Attila N. Lázár,Derek Clarke,Helen Adams,Abdur Razzaque Akanda,Sylvia Szabo,Robert J. Nicholls,Zoe Matthews,Dilruba Begum,Abul Fazal M. Saleh,Md. Anwarul Abedin,Andres Payo,Peter Kim Streatfield,Craig Hutton,M. Shahjahan Mondal,Abu Zofar Md. Moslehuddin Environ. Sci.: Processes Impacts, 2015,17, 1018-1031
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