Cas no 68906-24-1 (Phenol,4-(2,4,6-trichlorophenoxy)-)
68906-24-1 structure
Product Name:Phenol,4-(2,4,6-trichlorophenoxy)-
CAS No:68906-24-1
MF:C12H7Cl3O2
MW:289.54178071022
CID:503074
PubChem ID:155141
Update Time:2025-04-19
Phenol,4-(2,4,6-trichlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4-(2,4,6-trichlorophenoxy)-
- 4-(2,4,6-trichlorophenoxy)phenol
- Hydroxychlornitrofen
- DTXSID40218985
- 68906-24-1
- CCRIS 8004
-
- Inchi： 1S/C12H7Cl3O2/c13-7-5-10(14)12(11(15)6-7)17-9-3-1-8(16)2-4-9/h1-6,16H
- InChI Key： PWJFMODCCVSDJZ-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1OC1C=CC(=CC=1)O)Cl)Cl
Computed Properties
- Exact Mass: 287.95131
- Monoisotopic Mass: 287.951163g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 232
- 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: 4.5
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol,4-(2,4,6-trichlorophenoxy)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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