Cas no 19523-53-6 (2,5-Cyclohexadiene-1,4-dione,2-chloro-3-methyl-)
19523-53-6 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2-chloro-3-methyl-
CAS No:19523-53-6
MF:C7H5ClO2
MW:156.56640124321
CID:123624
PubChem ID:13464457
Update Time:2025-04-18
2,5-Cyclohexadiene-1,4-dione,2-chloro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2-chloro-3-methyl-
- 2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-methyl-
- SCHEMBL5612308
- 2-chloro-3-methylcyclohexa-2,5-diene-1,4-dione
- 19523-53-6
- 2-chloro-3-methylbenzo-1,4-quinone
-
- Inchi： 1S/C7H5ClO2/c1-4-5(9)2-3-6(10)7(4)8/h2-3H,1H3
- InChI Key： JGMLZQOCEQPLNC-UHFFFAOYSA-N
- SMILES： ClC1C(C=CC(C=1C)=O)=O
Computed Properties
- Exact Mass: 155.99785
- Monoisotopic Mass: 155.9978071g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 261
- 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: 1.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,5-Cyclohexadiene-1,4-dione,2-chloro-3-methyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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