Cas no 68533-51-7 (Phenol, 2-chloro-5-(2,4-dichlorophenoxy)-)
68533-51-7 structure
Product Name:Phenol, 2-chloro-5-(2,4-dichlorophenoxy)-
CAS No:68533-51-7
MF:C12H7Cl3O2
MW:289.54178071022
CID:393046
PubChem ID:12766017
Update Time:2025-04-19
Phenol, 2-chloro-5-(2,4-dichlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-chloro-5-(2,4-dichlorophenoxy)-
- 2-chloro-5-(2,4-dichlorophenoxy)phenol
- SCHEMBL10340778
- 68533-51-7
- DTXSID20509363
-
- Inchi： 1S/C12H7Cl3O2/c13-7-1-4-12(10(15)5-7)17-8-2-3-9(14)11(16)6-8/h1-6,16H
- InChI Key： BMAMWMHVCSHJBV-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1OC1C=CC(=C(C=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: 252
- 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
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol, 2-chloro-5-(2,4-dichlorophenoxy)- Related Literature
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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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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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