Cas no 56266-85-4 (1,2-Benzenedicarbonitrile, 3,4,6-trichloro-5-(2,4,5-trichlorophenoxy)-)
56266-85-4 structure
Product Name:1,2-Benzenedicarbonitrile, 3,4,6-trichloro-5-(2,4,5-trichlorophenoxy)-
CAS No:56266-85-4
MF:C14H2Cl6N2O
MW:426.896477222443
CID:349377
PubChem ID:71444772
Update Time:2025-04-19
1,2-Benzenedicarbonitrile, 3,4,6-trichloro-5-(2,4,5-trichlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 3,4,6-trichloro-5-(2,4,5-trichlorophenoxy)-
- 3,4,6-trichloro-5-(2,4,5-trichlorophenoxy)benzene-1,2-dicarbonitrile
- DTXSID30853526
- 56266-85-4
-
- Inchi： 1S/C14H2Cl6N2O/c15-7-1-9(17)10(2-8(7)16)23-14-12(19)6(4-22)5(3-21)11(18)13(14)20/h1-2H
- InChI Key： WYQLIXUUKRVGSG-UHFFFAOYSA-N
- SMILES： ClC1C(C#N)=C(C#N)C(=C(C=1OC1C=C(C(=CC=1Cl)Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 423.83016
- Monoisotopic Mass: 423.829829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 530
- 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: 6.7
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
1,2-Benzenedicarbonitrile, 3,4,6-trichloro-5-(2,4,5-trichlorophenoxy)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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