Cas no 61305-56-4 (2,5-Cyclohexadien-1-one, 2,6-dichloro-4,4-dimethyl-)
61305-56-4 structure
Product Name:2,5-Cyclohexadien-1-one, 2,6-dichloro-4,4-dimethyl-
CAS No:61305-56-4
MF:C8H8Cl2O
MW:191.054520606995
CID:485074
PubChem ID:12822758
Update Time:2025-04-19
2,5-Cyclohexadien-1-one, 2,6-dichloro-4,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadien-1-one, 2,6-dichloro-4,4-dimethyl-
- 2,6-dichloro-4,4-dimethylcyclohexa-2,5-dien-1-one
- DTXSID00510710
- 61305-56-4
-
- Inchi： 1S/C8H8Cl2O/c1-8(2)3-5(9)7(11)6(10)4-8/h3-4H,1-2H3
- InChI Key： FBSGIKIEQVHNHJ-UHFFFAOYSA-N
- SMILES： ClC1C(C(=CC(C=1)(C)C)Cl)=O
Computed Properties
- Exact Mass: 189.99534
- Monoisotopic Mass: 189.9952203g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 237
- 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: 3.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,5-Cyclohexadien-1-one, 2,6-dichloro-4,4-dimethyl- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
61305-56-4 (2,5-Cyclohexadien-1-one, 2,6-dichloro-4,4-dimethyl-) Related Products
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