Cas no 148527-65-5 (Benzoic acid,2-(2,2,2-trifluoro-1-hydroxyethyl)-)
148527-65-5 structure
Product Name:Benzoic acid,2-(2,2,2-trifluoro-1-hydroxyethyl)-
CAS No:148527-65-5
MF:C9H7F3O3
MW:220.145293474197
CID:100479
PubChem ID:15146486
Update Time:2025-04-18
Benzoic acid,2-(2,2,2-trifluoro-1-hydroxyethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,2-(2,2,2-trifluoro-1-hydroxyethyl)-
- Benzoic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)- (9CI)
- 148527-65-5
- 2-(2,2,2-Trifluoro-1-hydroxyethyl)benzoic acid
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- Inchi： 1S/C9H7F3O3/c10-9(11,12)7(13)5-3-1-2-4-6(5)8(14)15/h1-4,7,13H,(H,14,15)
- InChI Key： CVOOSIWUSKUMST-UHFFFAOYSA-N
- SMILES： FC(C(C1C=CC=CC=1C(=O)O)O)(F)F
Computed Properties
- Exact Mass: 220.03500
- Monoisotopic Mass: 220.03472857g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 239
- 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: 1.7
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53000
- LogP: 1.98050
Benzoic acid,2-(2,2,2-trifluoro-1-hydroxyethyl)- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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