Cas no 1402599-54-5 (7-Bromo-3,4-dihydro-2H-1,5-benzodioxepin-3-ol)
1402599-54-5 structure
Product Name:7-Bromo-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CAS No:1402599-54-5
MF:C9H9BrO3
MW:245.069962263107
CID:2125676
Update Time:2023-08-04
7-Bromo-3,4-dihydro-2H-1,5-benzodioxepin-3-ol Chemical and Physical Properties
Names and Identifiers
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- 7-bromo-3,4-dihydro-2H-1,5-Benzodioxepin-3-ol
- UDNMOBDCWDXSAL-UHFFFAOYSA-N
- 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
-
- Inchi： 1S/C9H9BrO3/c10-6-1-2-8-9(3-6)13-5-7(11)4-12-8/h1-3,7,11H,4-5H2
- InChI Key： UDNMOBDCWDXSAL-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)OCC(CO2)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 176
- XLogP3: 1.6
- Topological Polar Surface Area: 38.7
7-Bromo-3,4-dihydro-2H-1,5-benzodioxepin-3-ol Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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