Cas no 651331-93-0 (Benzoic acid, 2-hydroxy-4-(2,2,2-trifluoroethoxy)-)
651331-93-0 structure
Product Name:Benzoic acid, 2-hydroxy-4-(2,2,2-trifluoroethoxy)-
CAS No:651331-93-0
MF:C9H7F3O4
MW:236.144693613052
CID:405502
PubChem ID:11776255
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-4-(2,2,2-trifluoroethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-hydroxy-4-(2,2,2-trifluoroethoxy)-
- 2-hydroxy-4-(2,2,2-trifluoroethoxy)benzoic acid
- 651331-93-0
- SCHEMBL4408334
- GEVXVDDNVQWQAC-UHFFFAOYSA-N
- DTXSID50472374
-
- Inchi： 1S/C9H7F3O4/c10-9(11,12)4-16-5-1-2-6(8(14)15)7(13)3-5/h1-3,13H,4H2,(H,14,15)
- InChI Key： GEVXVDDNVQWQAC-UHFFFAOYSA-N
- SMILES： FC(COC1C=CC(C(=O)O)=C(C=1)O)(F)F
Computed Properties
- Exact Mass: 236.02961
- Monoisotopic Mass: 236.02964319g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 254
- 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: 3.1
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Benzoic acid, 2-hydroxy-4-(2,2,2-trifluoroethoxy)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
651331-93-0 (Benzoic acid, 2-hydroxy-4-(2,2,2-trifluoroethoxy)-) Related Products
- 175205-34-2(5-Methoxy-2-(2,2,2-trifluoroethoxy)benzoic acid)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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