Cas no 650601-06-2 (1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1S,2S)-)
650601-06-2 structure
Product Name:1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1S,2S)-
CAS No:650601-06-2
MF:C14H13ClO2
MW:248.704823255539
CID:408968
PubChem ID:21578255
Update Time:2025-04-19
1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1S,2S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediol, 1-(4-chlorophenyl)-2-phenyl-, (1S,2S)-
- 650601-06-2
- CHEMBL2251574
- (1S,2S)-1-(4-Chlorophenyl)-2-phenylethane-1,2-diol
- DTXSID30616037
-
- 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-/m0/s1
- InChI Key： JKHLGCIYBRKEGD-KBPBESRZSA-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-, (1S,2S)- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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