Cas no 84145-00-6 ([1,1'-Biphenyl]-3-carboxylicacid, 2',4'-difluoro-4-hydroxy-, sodium salt (1:1))
![[1,1'-Biphenyl]-3-carboxylicacid, 2',4'-difluoro-4-hydroxy-, sodium salt (1:1) structure](https://ossimg.kuujia.com/scimg/84500/84145-00-6x500.png)
84145-00-6 structure
Product Name:[1,1'-Biphenyl]-3-carboxylicacid, 2',4'-difluoro-4-hydroxy-, sodium salt (1:1)
CAS No:84145-00-6
MF:C13H7F2NaO3
MW:272.179461717606
CID:725539
PubChem ID:23677945
Update Time:2025-04-19
[1,1'-Biphenyl]-3-carboxylicacid, 2',4'-difluoro-4-hydroxy-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-3-carboxylicacid, 2',4'-difluoro-4-hydroxy-, sodium salt (1:1)
- sodium 2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylate
- sodium,5-(2,4-difluorophenyl)-2-hydroxybenzoate
- DTXSID00233033
- EINECS 282-223-5
- Diflunisal sodium
- Sodium 2',4'-difluoro-4-hydroxy(1,1'-biphenyl)-3-carboxylate
- NS00089215
- (1,1'-BIPHENYL)-3-CARBOXYLIC ACID, 2',4'-DIFLUORO-4-HYDROXY-, SODIUM SALT (1:1)
- SCHEMBL11411706
- MJG4K58KPV
- Q27284069
- (1,1'-BIPHENYL)-3-CARBOXYLIC ACID, 2',4'-DIFLUORO-4-HYDROXY-, MONOSODIUM SALT
- SODIUM DIFLUNISAL
- 84145-00-6
- UNII-MJG4K58KPV
-
- Inchi： 1S/C13H8F2O3.Na/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18;/h1-6,16H,(H,17,18);/q;+1/p-1
- InChI Key： TWNIMRJXRIWUKA-UHFFFAOYSA-M
- SMILES： [Na+].FC1C=C(C=CC=1C1C=CC(=C(C(=O)[O-])C=1)O)F
Computed Properties
- Exact Mass: 272.02609469g/mol
- Monoisotopic Mass: 272.02609469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 316
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.4?2
[1,1'-Biphenyl]-3-carboxylicacid, 2',4'-difluoro-4-hydroxy-, sodium salt (1:1) Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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