Cas no 89931-32-8 (Benzoic acid, 3-[2-chloro-3-(trifluoromethyl)phenoxy]-)
![Benzoic acid, 3-[2-chloro-3-(trifluoromethyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/90000/89931-32-8x500.png)
89931-32-8 structure
Product Name:Benzoic acid, 3-[2-chloro-3-(trifluoromethyl)phenoxy]-
CAS No:89931-32-8
MF:C14H8ClF3O3
MW:316.659733772278
CID:585026
PubChem ID:71326930
Update Time:2025-04-19
Benzoic acid, 3-[2-chloro-3-(trifluoromethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-[2-chloro-3-(trifluoromethyl)phenoxy]-
- 3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid
- DTXSID00756055
- 89931-32-8
-
- Inchi： 1S/C14H8ClF3O3/c15-12-10(14(16,17)18)5-2-6-11(12)21-9-4-1-3-8(7-9)13(19)20/h1-7H,(H,19,20)
- InChI Key： AZEORQADXNZBQJ-UHFFFAOYSA-N
- SMILES： ClC1C(=CC=CC=1C(F)(F)F)OC1C=CC=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 316.0114063g/mol
- Monoisotopic Mass: 316.0114063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 375
- 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: 4.5
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 3-[2-chloro-3-(trifluoromethyl)phenoxy]- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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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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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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