Cas no 58844-70-5 (2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic Acid)
![2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic Acid structure](https://ossimg.kuujia.com/scimg/59000/58844-70-5x500.png)
58844-70-5 structure
Product Name:2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic Acid
CAS No:58844-70-5
MF:C14H9F3O3S
MW:314.279673337936
CID:1612743
PubChem ID:42855
Update Time:2025-04-21
2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic acid
- 2-((3-(Trifluoromethyl)phenyl)sulfinyl)benzoic acid
- BRN 2154446
- AC1L28PS
- CTK5A8951
- AG-G-08521
- LS-38393
- KB-219909
- 2-[(3-Trifluoromethylphenyl)sulfinyl]benzoic acid
- 58844-70-5
- 2-[3-(Trifluoromethyl)benzene-1-sulfinyl]benzoic acid
- o-((alpha,alpha,alpha-Trifluoro-m-tolyl)sulfinyl)benzoic acid
- DB-260478
- DTXSID40974352
- BENZOIC ACID, o-((alpha,alpha,alpha-TRIFLUORO-m-TOLYL)SULFINYL)-
- 2-[(3-Trifluoromethylphenyl)sulfinyl ]benzoic acid
- CHEMBL3277072
- Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfinyl)-
- 2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic Acid
-
- Inchi： 1S/C14H9F3O3S/c15-14(16,17)9-4-3-5-10(8-9)21(20)12-7-2-1-6-11(12)13(18)19/h1-8H,(H,18,19)
- InChI Key： TWLUUCVHAKXBJU-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C(=O)O)(C1=CC=CC(C(F)(F)F)=C1)=O
Computed Properties
- Exact Mass: 314.02247
- Monoisotopic Mass: 314.02244980g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 411
- 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: 3.9
- Topological Polar Surface Area: 73.6?2
Experimental Properties
- PSA: 54.37
2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic Acid Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
58844-70-5 (2-[3-(trifluoromethyl)phenyl]sulfinylbenzoic Acid) Related Products
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