Cas no 58138-44-6 (1,4-Naphthalenedione, 2-chloro-6,7-diethyl-)
58138-44-6 structure
Product Name:1,4-Naphthalenedione, 2-chloro-6,7-diethyl-
CAS No:58138-44-6
MF:C14H13ClO2
MW:248.704823255539
CID:343003
PubChem ID:12366401
Update Time:2025-04-19
1,4-Naphthalenedione, 2-chloro-6,7-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 2-chloro-6,7-diethyl-
- 2-chloro-6,7-diethylnaphthalene-1,4-dione
- 58138-44-6
- DTXSID10494496
- UURUSRZBFREQGF-UHFFFAOYSA-N
- 2-Chloro-6,7-diethyl-1,4-naphthoquinone
-
- Inchi： 1S/C14H13ClO2/c1-3-8-5-10-11(6-9(8)4-2)14(17)12(15)7-13(10)16/h5-7H,3-4H2,1-2H3
- InChI Key： UURUSRZBFREQGF-UHFFFAOYSA-N
- SMILES： ClC1=CC(C2=CC(CC)=C(C=C2C1=O)CC)=O
Computed Properties
- Exact Mass: 248.06049
- Monoisotopic Mass: 248.0604073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 372
- 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: 3.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,4-Naphthalenedione, 2-chloro-6,7-diethyl- Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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