Cas no 1374574-18-1 (5-Bromo-4-chloroisobenzofuran-1(3H)-one)
1374574-18-1 structure
Product Name:5-Bromo-4-chloroisobenzofuran-1(3H)-one
CAS No:1374574-18-1
MF:C8H4BrClO2
MW:247.473160743713
CID:2192987
Update Time:2023-08-06
5-Bromo-4-chloroisobenzofuran-1(3H)-one Chemical and Physical Properties
Names and Identifiers
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- 5-Bromo-4-chloroisobenzofuran-1(3h)-one
- 1(3H)-Isobenzofuranone, 5-bromo-4-chloro-
- WFMOWAALVUVVSD-UHFFFAOYSA-N
- 5-bromo-4-chloro-2-benzofuran-1(3H)-one
- 5-Bromo-4-chloroisobenzofuran-1(3H)-one
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- Inchi： 1S/C8H4BrClO2/c9-6-2-1-4-5(7(6)10)3-12-8(4)11/h1-2H,3H2
- InChI Key： WFMOWAALVUVVSD-UHFFFAOYSA-N
- SMILES： BrC1C=CC2C(=O)OCC=2C=1Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 209
- Topological Polar Surface Area: 26.3
5-Bromo-4-chloroisobenzofuran-1(3H)-one Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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