Cas no 99910-88-0 (1,2,4-Benzenetriol, 3-bromo- (9CI))
99910-88-0 structure
Product Name:1,2,4-Benzenetriol, 3-bromo- (9CI)
CAS No:99910-88-0
MF:C6H5BrO3
MW:205.006101369858
CID:797430
PubChem ID:45093009
Update Time:2025-04-19
1,2,4-Benzenetriol, 3-bromo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetriol, 3-bromo- (9CI)
- 3-bromobenzene-1,2,4-triol
- DTXSID40667131
- 99910-88-0
-
- Inchi： 1S/C6H5BrO3/c7-5-3(8)1-2-4(9)6(5)10/h1-2,8-10H
- InChI Key： LOODGNRNUNRBRR-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC(=C1O)O)O
Computed Properties
- Exact Mass: 203.942
- Monoisotopic Mass: 203.942
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 120
- 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: 60.7A^2
- XLogP3: 1.5
1,2,4-Benzenetriol, 3-bromo- (9CI) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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