Cas no 63646-53-7 (Benzene, 1,2,3-trichloro-5-phenoxy-)
63646-53-7 structure
Product Name:Benzene, 1,2,3-trichloro-5-phenoxy-
CAS No:63646-53-7
MF:C12H7Cl3O
MW:273.542380571365
CID:426032
PubChem ID:14923177
Update Time:2025-04-19
Benzene, 1,2,3-trichloro-5-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2,3-trichloro-5-phenoxy-
- 1,2,3-trichloro-5-phenoxybenzene
- 3,4,5-Trichlorodiphenyl ether
- PCDE 38
- UNII-60660OQK3J
- 60660OQK3J
- Q27263173
- 63646-53-7
- DTXSID30213020
-
- Inchi： 1S/C12H7Cl3O/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7H
- InChI Key： ZQCCHNBMSHOJAT-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=C(C=1)OC1C=CC=CC=1)Cl)Cl
Computed Properties
- Exact Mass: 271.95641
- Monoisotopic Mass: 271.956248g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 206
- 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: 5.6
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1,2,3-trichloro-5-phenoxy- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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