Cas no 62086-76-4 (1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1R,2R)-)
62086-76-4 structure
Product Name:1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1R,2R)-
CAS No:62086-76-4
MF:C14H13ClO2
MW:248.704823255539
CID:458712
PubChem ID:11413991
Update Time:2025-04-19
1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1R,2R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1R,2R)-
- (1R,2R)-1-(4-chlorophenyl)-2-phenylethane-1,2-diol
- CHEMBL2251573
- 62086-76-4
- DTXSID60465151
-
- Inchi： 1S/C14H13ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9,13-14,16-17H/t13-,14-/m1/s1
- InChI Key： JKHLGCIYBRKEGD-ZIAGYGMSSA-N
- SMILES： ClC1C=CC(=CC=1)[C@H]([C@@H](C1C=CC=CC=1)O)O
Computed Properties
- Exact Mass: 248.06049
- Monoisotopic Mass: 248.0604073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1R,2R)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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