Cas no 1003709-86-1 (2,5-Bis(trifluoromethoxy)benzoic acid)
1003709-86-1 structure
Product Name:2,5-Bis(trifluoromethoxy)benzoic acid
CAS No:1003709-86-1
MF:C9H4F6O4
MW:290.116084098816
CID:2133931
Update Time:2023-08-03
2,5-Bis(trifluoromethoxy)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 2,5-Bis(trifluoromethoxy)benzoic acid
- PubChem4990
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- Inchi： 1S/C9H4F6O4/c10-8(11,12)18-4-1-2-6(19-9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17)
- InChI Key： LJLZKVYNUPIIAO-UHFFFAOYSA-N
- SMILES： FC(OC1C=CC(=CC=1C(=O)O)OC(F)(F)F)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 326
- XLogP3: 3.7
- Topological Polar Surface Area: 55.8
2,5-Bis(trifluoromethoxy)benzoic acid Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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