Cas no 126814-95-7 (1,2-Propanediol,3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxy]-)
![1,2-Propanediol,3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxy]- structure](https://ossimg.kuujia.com/scimg/127000/126814-95-7x500.png)
126814-95-7 structure
Product Name:1,2-Propanediol,3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxy]-
CAS No:126814-95-7
MF:C11H9F15O3
MW:474.163416624069
CID:1220923
PubChem ID:14716147
Update Time:2025-04-20
1,2-Propanediol,3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxy]-
- DTXSID601032585
- 126814-95-7
- 3-[(Perfluoroheptyl)methyloxy]-1,2-propanediol
- SCHEMBL5351265
-
- Inchi： 1S/C11H9F15O3/c12-5(13,3-29-2-4(28)1-27)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h4,27-28H,1-3H2
- InChI Key： NSFNNBQPNCVWFZ-UHFFFAOYSA-N
- SMILES： FC(C(C(COCC(CO)O)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
Computed Properties
- Exact Mass: 474.03117
- Monoisotopic Mass: 474.0312166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 29
- Rotatable Bond Count: 10
- Complexity: 556
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69
1,2-Propanediol,3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxy]- Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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