Cas no 671808-87-0 (1,2-Ethanediol, 1,2-bis(2,4-dichlorophenyl)-, (1S,2S)-)
671808-87-0 structure
Product Name:1,2-Ethanediol, 1,2-bis(2,4-dichlorophenyl)-, (1S,2S)-
CAS No:671808-87-0
MF:C14H10Cl4O2
MW:352.04000043869
CID:395210
PubChem ID:11221888
Update Time:2025-04-19
1,2-Ethanediol, 1,2-bis(2,4-dichlorophenyl)-, (1S,2S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediol, 1,2-bis(2,4-dichlorophenyl)-, (1S,2S)-
- (1S,2S)-1,2-bis(2,4-dichlorophenyl)ethane-1,2-diol
- DTXSID50459266
- 671808-87-0
-
- Inchi： 1S/C14H10Cl4O2/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,13-14,19-20H/t13-,14-/m0/s1
- InChI Key： GMOAFUYDLNHTAZ-KBPBESRZSA-N
- SMILES： ClC1C=C(C=CC=1[C@@H]([C@H](C1C=CC(=CC=1Cl)Cl)O)O)Cl
Computed Properties
- Exact Mass: 349.9437
- Monoisotopic Mass: 349.943490g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 288
- 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: 4.4
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Ethanediol, 1,2-bis(2,4-dichlorophenyl)-, (1S,2S)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
671808-87-0 (1,2-Ethanediol, 1,2-bis(2,4-dichlorophenyl)-, (1S,2S)-) Related Products
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