Cas no 24456-95-9 (2,5-Cyclohexadiene-1,4-dione,2,6-dichloro-3,5-dimethyl-)
24456-95-9 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2,6-dichloro-3,5-dimethyl-
CAS No:24456-95-9
MF:C8H6Cl2O2
MW:205.03804063797
CID:267414
PubChem ID:239655
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione,2,6-dichloro-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2,6-dichloro-3,5-dimethyl-
- 2,6-dichloro-3,5-dimethylcyclohexa-2,5-diene-1,4-dione
- 2,6-Dichloro-3,5-dimethyl-1,4-benzoquinone
- p-Benzoquinone, 2,6-dichloro-3,5-dimethyl-
- InChI=1/C8H6Cl2O2/c1-3-5(9)8(12)6(10)4(2)7(3)11/h1-2H
- SCHEMBL13453022
- 2,4-dione, 2,6-dichloro-3,5-dimethyl-
- p-Benzoquinone,6-dichloro-3,5-dimethyl-
- DTXSID90286351
- NSC-44994
- NSC44994
- 24456-95-9
-
- Inchi： 1S/C8H6Cl2O2/c1-3-5(9)8(12)6(10)4(2)7(3)11/h1-2H3
- InChI Key： FPSIGQVXMAGDIY-UHFFFAOYSA-N
- SMILES： ClC1C(C(=C(C)C(C=1C)=O)Cl)=O
Computed Properties
- Exact Mass: 203.97458
- Monoisotopic Mass: 203.9744848g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 307
- 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: 2.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,5-Cyclohexadiene-1,4-dione,2,6-dichloro-3,5-dimethyl- Related Literature
-
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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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