Cas no 139911-17-4 ([1,1'-Biphenyl]-2-carboxylic acid, 4,4'-difluoro-2'-methyl-, ethyl ester)
![[1,1'-Biphenyl]-2-carboxylic acid, 4,4'-difluoro-2'-methyl-, ethyl ester structure](https://ossimg.kuujia.com/scimg/140000/139911-17-4x500.png)
139911-17-4 structure
Product Name:[1,1'-Biphenyl]-2-carboxylic acid, 4,4'-difluoro-2'-methyl-, ethyl ester
CAS No:139911-17-4
MF:C16H14F2O2
MW:276.277971744537
CID:1284204
PubChem ID:15037300
Update Time:2025-04-20
[1,1'-Biphenyl]-2-carboxylic acid, 4,4'-difluoro-2'-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-2-carboxylic acid, 4,4'-difluoro-2'-methyl-, ethyl ester
- ethyl 2-(2-methyl-4-fluorophenyl)-5-fluorobenzoate
- SCHEMBL9672717
- DB-360322
- 139911-17-4
-
- Inchi： 1S/C16H14F2O2/c1-3-20-16(19)15-9-12(18)5-7-14(15)13-6-4-11(17)8-10(13)2/h4-9H,3H2,1-2H3
- InChI Key： LTWSXYJHIGZQLC-UHFFFAOYSA-N
- SMILES： FC1C=CC(=C(C)C=1)C1C=CC(=CC=1C(=O)OCC)F
Computed Properties
- Exact Mass: 276.09622
- Monoisotopic Mass: 276.09618601g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 334
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
[1,1'-Biphenyl]-2-carboxylic acid, 4,4'-difluoro-2'-methyl-, ethyl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
139911-17-4 ([1,1'-Biphenyl]-2-carboxylic acid, 4,4'-difluoro-2'-methyl-, ethyl ester) Related Products
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