Cas no 25779-26-4 (2,5-Cyclohexadiene-1,4-dione, 2,3,5-tribromo-)
25779-26-4 structure
Product Name:2,5-Cyclohexadiene-1,4-dione, 2,3,5-tribromo-
CAS No:25779-26-4
MF:C6HBr3O2
MW:344.78293967247
CID:1424062
PubChem ID:13354697
Update Time:2025-04-20
2,5-Cyclohexadiene-1,4-dione, 2,3,5-tribromo- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione, 2,3,5-tribromo-
- 2,3,5-tribromocyclohexa-2,5-diene-1,4-dione
- SCHEMBL18889482
- Tribromchinon
- 25779-26-4
- DTXSID00538055
-
- Inchi: 1S/C6HBr3O2/c7-2-1-3(10)4(8)5(9)6(2)11/h1H
- InChI Key: WQZQUBIIUWHJSK-UHFFFAOYSA-N
- SMILES: BrC1C(C(=CC(C=1Br)=O)Br)=O
Computed Properties
- Exact Mass: 341.75253
- Monoisotopic Mass: 341.75267g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 301
- 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: 2.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,5-Cyclohexadiene-1,4-dione, 2,3,5-tribromo- Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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