Cas no 89444-80-4 (Benzene, 1,3,5-tribromo-2,4-dimethoxy-6-nitro-)
89444-80-4 structure
Product Name:Benzene, 1,3,5-tribromo-2,4-dimethoxy-6-nitro-
CAS No:89444-80-4
MF:C8H6Br3NO4
MW:419.849540233612
CID:600394
PubChem ID:71324292
Update Time:2025-04-19
Benzene, 1,3,5-tribromo-2,4-dimethoxy-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3,5-tribromo-2,4-dimethoxy-6-nitro-
- 1,3,5-tribromo-2,4-dimethoxy-6-nitrobenzene
- DTXSID00753781
- 89444-80-4
-
- Inchi： 1S/C8H6Br3NO4/c1-15-7-3(9)6(12(13)14)4(10)8(16-2)5(7)11/h1-2H3
- InChI Key： VAKAKNGQBFDOSW-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=C(C=1OC)Br)[N+](=O)[O-])Br)OC
Computed Properties
- Exact Mass: 418.78265g/mol
- Monoisotopic Mass: 416.78470g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 244
- 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: 3.8
- Topological Polar Surface Area: 64.3?2
Benzene, 1,3,5-tribromo-2,4-dimethoxy-6-nitro- Related Literature
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
89444-80-4 (Benzene, 1,3,5-tribromo-2,4-dimethoxy-6-nitro-) Related Products
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