Cas no 89084-77-5 (1,2,3-Benzenetriol, 4-bromo-6-nitro-)
89084-77-5 structure
Product Name:1,2,3-Benzenetriol, 4-bromo-6-nitro-
CAS No:89084-77-5
MF:C6H4BrNO5
MW:250.003661155701
CID:612908
PubChem ID:13312470
Update Time:2025-04-19
1,2,3-Benzenetriol, 4-bromo-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzenetriol, 4-bromo-6-nitro-
- 4-bromo-6-nitrobenzene-1,2,3-triol
- DTXSID40536378
- 89084-77-5
- SCHEMBL11211745
-
- Inchi： 1S/C6H4BrNO5/c7-2-1-3(8(12)13)5(10)6(11)4(2)9/h1,9-11H
- InChI Key： NYEYHGXIJSWRPO-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C(=C1O)O)O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 248.92728g/mol
- Monoisotopic Mass: 248.92728g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 208
- 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
- XLogP3: 1.9
- Topological Polar Surface Area: 107?2
1,2,3-Benzenetriol, 4-bromo-6-nitro- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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