Cas no 110931-02-7 (2,5-Cyclohexadiene-1,4-dione,2-chloro-3-hydroxy-)
110931-02-7 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2-chloro-3-hydroxy-
CAS No:110931-02-7
MF:C6H3ClO3
MW:158.539221048355
CID:129024
PubChem ID:18701991
Update Time:2025-04-18
2,5-Cyclohexadiene-1,4-dione,2-chloro-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2-chloro-3-hydroxy-
- 2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxy-
- SCHEMBL187343
- 2-Chloro-3-hydroxycyclohexa-2,5-diene-1,4-dione
- 110931-02-7
- chlorohydroxyquinone
-
- Inchi： 1S/C6H3ClO3/c7-5-3(8)1-2-4(9)6(5)10/h1-2,10H
- InChI Key： AGBHGUOZWBXORQ-UHFFFAOYSA-N
- SMILES： ClC1C(C=CC(C=1O)=O)=O
Computed Properties
- Exact Mass: 157.97709
- Monoisotopic Mass: 157.9770716g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 262
- 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: 0.7
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
2,5-Cyclohexadiene-1,4-dione,2-chloro-3-hydroxy- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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