Cas no 1258632-82-4 (5-Hydroxy-3-(3-trifluoromethoxyphenyl)benzoic acid)
1258632-82-4 structure
Product Name:5-Hydroxy-3-(3-trifluoromethoxyphenyl)benzoic acid
CAS No:1258632-82-4
MF:C14H9F3O4
MW:298.214074850082
CID:2760997
PubChem ID:53228232
Update Time:2025-04-21
5-Hydroxy-3-(3-trifluoromethoxyphenyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 5-Hydroxy-3'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid
- MFCD18086686
- 5-HYDROXY-3-(3-TRIFLUOROMETHOXYPHENYL)BENZOIC ACID
- 1258632-82-4
- 5-Hydroxy-3-(3-trifluoromethoxyphenyl)benzoic acid, 95%
- DTXSID50691765
- 5-Hydroxy-3-(3-trifluoromethoxyphenyl)benzoic acid
-
- Inchi： 1S/C14H9F3O4/c15-14(16,17)21-12-3-1-2-8(7-12)9-4-10(13(19)20)6-11(18)5-9/h1-7,18H,(H,19,20)
- InChI Key： RGBCFCNTNVPHQK-UHFFFAOYSA-N
- SMILES： FC(OC1=CC=CC(=C1)C1C=C(C=C(C(=O)O)C=1)O)(F)F
Computed Properties
- Exact Mass: 298.04529325Da
- Monoisotopic Mass: 298.04529325Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 372
- 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: 3.9
- Topological Polar Surface Area: 66.8?2
5-Hydroxy-3-(3-trifluoromethoxyphenyl)benzoic acid Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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