Cas no 37038-64-5 ((2,6-dichlorophenyl) 4-chlorobenzoate)
37038-64-5 structure
Product Name:(2,6-dichlorophenyl) 4-chlorobenzoate
CAS No:37038-64-5
MF:C13H7Cl3O2
MW:301.55248093605
CID:921912
PubChem ID:260763
Update Time:2025-04-19
(2,6-dichlorophenyl) 4-chlorobenzoate Chemical and Physical Properties
Names and Identifiers
-
- (2,6-dichlorophenyl) 4-chlorobenzoate
- 2,6-dichlorophenyl 4-chlorobenzoate
- AC1L63TG
- AC1Q3RRH
- AR-1D4846
- CTK4H7596
- NCIOpen2_009989
- NSC92443
- NSC-92443
- 37038-64-5
- DTXSID60293810
-
- Inchi： 1S/C13H7Cl3O2/c14-9-6-4-8(5-7-9)13(17)18-12-10(15)2-1-3-11(12)16/h1-7H
- InChI Key： JRHDIFWNXNKQAU-UHFFFAOYSA-N
- SMILES： ClC1C=CC=C(C=1OC(C1C=CC(=CC=1)Cl)=O)Cl
Computed Properties
- Exact Mass: 299.95131
- Monoisotopic Mass: 299.951163g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 280
- 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: 5.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 4.86600
(2,6-dichlorophenyl) 4-chlorobenzoate Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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