Cas no 827299-99-0 (Benzoic acid, 2,6-dichloro-, 3-boronophenyl ester)
827299-99-0 structure
Product Name:Benzoic acid, 2,6-dichloro-, 3-boronophenyl ester
CAS No:827299-99-0
MF:C13H9BCl2O4
MW:310.92516207695
CID:685621
PubChem ID:127260122
Update Time:2025-04-19
Benzoic acid, 2,6-dichloro-, 3-boronophenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2,6-dichloro-, 3-boronophenyl ester
- [3-(2,6-dichlorobenzoyl)oxyphenyl]boronic acid
- (3-(Benzoyloxy)-2,4-dichlorophenyl)boronic acid
- starbld0019511
- 827299-99-0
- [3-(benzoyloxy)-2,4-dichlorophenyl]boronic acid
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- Inchi： 1S/C13H9BCl2O4/c15-10-7-6-9(14(18)19)11(16)12(10)20-13(17)8-4-2-1-3-5-8/h1-7,18-19H
- InChI Key： GFECBYZNTMHNBV-UHFFFAOYSA-N
- SMILES： ClC1=C(B(O)O)C=CC(=C1OC(C1C=CC=CC=1)=O)Cl
Computed Properties
- Exact Mass: 309.9970943g/mol
- Monoisotopic Mass: 309.9970943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 336
- 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
- Topological Polar Surface Area: 66.8?2
Benzoic acid, 2,6-dichloro-, 3-boronophenyl ester Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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