Cas no 77618-46-3 (3,5-Cyclohexadiene-1,2-dione, 3,4,5-trichloro-)
77618-46-3 structure
Product Name:3,5-Cyclohexadiene-1,2-dione, 3,4,5-trichloro-
CAS No:77618-46-3
MF:C6HCl3O2
MW:211.429939031601
CID:535811
PubChem ID:15660708
Update Time:2025-04-19
3,5-Cyclohexadiene-1,2-dione, 3,4,5-trichloro- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Cyclohexadiene-1,2-dione, 3,4,5-trichloro-
- 3,4,5-trichlorocyclohexa-3,5-diene-1,2-dione
- SCHEMBL10946387
- DTXSID80576470
- Trichlor-chinon
- 77618-46-3
-
- Inchi： 1S/C6HCl3O2/c7-2-1-3(10)6(11)5(9)4(2)8/h1H
- InChI Key： VKLDSPFSVBLMNE-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(C(C=1Cl)=O)=O)Cl
Computed Properties
- Exact Mass: 209.90433
- Monoisotopic Mass: 209.904212g/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: 1.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
3,5-Cyclohexadiene-1,2-dione, 3,4,5-trichloro- Related Literature
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
77618-46-3 (3,5-Cyclohexadiene-1,2-dione, 3,4,5-trichloro-) Related Products
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