Cas no 586418-00-0 (1,2-Ethanediol, 1-(2,4-dichlorophenyl)-, (1R)-)
586418-00-0 structure
Product Name:1,2-Ethanediol, 1-(2,4-dichlorophenyl)-, (1R)-
CAS No:586418-00-0
MF:C8H8Cl2O2
MW:207.05392074585
CID:341380
PubChem ID:71443423
Update Time:2025-04-19
1,2-Ethanediol, 1-(2,4-dichlorophenyl)-, (1R)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Ethanediol, 1-(2,4-dichlorophenyl)-, (1R)-
- DTXSID00852248
- (1R)-1-(2,4-Dichlorophenyl)ethane-1,2-diol
- 586418-00-0
-
- Inchi： 1S/C8H8Cl2O2/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,11-12H,4H2/t8-/m0/s1
- InChI Key： HZAZETJSOZQUJL-QMMMGPOBSA-N
- SMILES： ClC1C=C(C=CC=1[C@H](CO)O)Cl
Computed Properties
- Exact Mass: 205.99024
- Monoisotopic Mass: 205.9901349g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Ethanediol, 1-(2,4-dichlorophenyl)-, (1R)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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