Cas no 94888-12-7 (Phenol,2,3,4-trichloro-6-(2,3,4,6-tetrachlorophenoxy)-)
94888-12-7 structure
Product Name:Phenol,2,3,4-trichloro-6-(2,3,4,6-tetrachlorophenoxy)-
CAS No:94888-12-7
MF:C12H3Cl7O2
MW:427.322016954422
CID:809512
PubChem ID:93509
Update Time:2025-04-19
Phenol,2,3,4-trichloro-6-(2,3,4,6-tetrachlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
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- Phenol,2,3,4-trichloro-6-(2,3,4,6-tetrachlorophenoxy)-
- 2,3,4-trichloro-6-(2,3,4,6-tetrachlorophenoxy)phenol
- DTXSID40241672
- 94888-12-7
-
- Inchi： 1S/C12H3Cl7O2/c13-3-1-5(15)12(10(19)8(3)17)21-6-2-4(14)7(16)9(18)11(6)20/h1-2,20H
- InChI Key： IIGANKVUIOUWRI-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=C(C=1OC1C=C(C(=C(C=1O)Cl)Cl)Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 425.792323g/mol
- Monoisotopic Mass: 423.795273g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 361
- 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: 7.5
- Topological Polar Surface Area: 29.5?2
Phenol,2,3,4-trichloro-6-(2,3,4,6-tetrachlorophenoxy)- 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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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