Cas no 91733-56-1 (Phenol, phenoxy-,pentachloro deriv. (9CI))
91733-56-1 structure
Product Name:Phenol, phenoxy-,pentachloro deriv. (9CI)
CAS No:91733-56-1
MF:C12H5Cl5O2
MW:358.431898832321
CID:814876
PubChem ID:156913
Update Time:2025-04-19
Phenol, phenoxy-,pentachloro deriv. (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, phenoxy-,pentachloro deriv. (9CI)
- DTXSID80919545
- 91733-56-1
- Phenol, 2-(pentachlorophenoxy)-
- 2-(2,3,4,5,6-pentachlorophenoxy)phenol
- AKOS001588330
- 78576-68-8
- 2-(Pentachlorophenoxy)phenol
- BRN 4708335
-
- Inchi： 1S/C12H5Cl5O2/c13-7-8(14)10(16)12(11(17)9(7)15)19-6-4-2-1-3-5(6)18/h1-4,18H
- InChI Key： QMVZPHXBSXJWRB-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=C(C=1OC1C=CC=CC=1O)Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 357.870268g/mol
- Monoisotopic Mass: 355.873218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 290
- 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: 6.2
- Topological Polar Surface Area: 29.5?2
Phenol, phenoxy-,pentachloro deriv. (9CI) Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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