Cas no 1392227-53-0 (7-Bromo-5-chloro-3H-2-benzofuran-1-one)
1392227-53-0 structure
Product Name:7-Bromo-5-chloro-3H-2-benzofuran-1-one
CAS No:1392227-53-0
MF:C8H4BrClO2
MW:247.473160743713
CID:2125691
Update Time:2023-08-03
7-Bromo-5-chloro-3H-2-benzofuran-1-one Chemical and Physical Properties
Names and Identifiers
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- 7-bromo-5-chloroisobenzofuran-1(3H)-one
- LNZJSGKHZDWPFU-UHFFFAOYSA-N
- 7-bromo-5-chloro-2-benzofuran-1(3H)-one
- 7-Bromo-5-chloro-3H-2-benzofuran-1-one
-
- Inchi： 1S/C8H4BrClO2/c9-6-2-5(10)1-4-3-12-8(11)7(4)6/h1-2H,3H2
- InChI Key： LNZJSGKHZDWPFU-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC2COC(C=21)=O)Cl
Computed Properties
- Exact Mass: 245.908
- Monoisotopic Mass: 245.908
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 209
- 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: 26.3
7-Bromo-5-chloro-3H-2-benzofuran-1-one Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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