Cas no 17811-54-0 (Phenol, 2,3,5,6-tetrachloro-4-(phenylmethoxy)-)
17811-54-0 structure
Product Name:Phenol, 2,3,5,6-tetrachloro-4-(phenylmethoxy)-
CAS No:17811-54-0
MF:C13H8Cl4O2
MW:338.01342010498
CID:2782899
PubChem ID:10759417
Update Time:2025-04-21
Phenol, 2,3,5,6-tetrachloro-4-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- DTXCID60395363
- 17811-54-0
- DTXSID60444542
- Phenol, 2,3,5,6-tetrachloro-4-(phenylmethoxy)-
-
- Inchi: 1S/C13H8Cl4O2/c14-8-10(16)13(11(17)9(15)12(8)18)19-6-7-4-2-1-3-5-7/h1-5,18H,6H2
- InChI Key: SNBZGMUZRHKHJY-UHFFFAOYSA-N
- SMILES: ClC1C(=C(C(=C(C=1OCC1C=CC=CC=1)Cl)Cl)O)Cl
Computed Properties
- Exact Mass: 337.924890Da
- Monoisotopic Mass: 335.927840Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 270
- 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: 5.5
- Topological Polar Surface Area: 29.5?2
Phenol, 2,3,5,6-tetrachloro-4-(phenylmethoxy)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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