Cas no 55349-62-7 (Benzenecarboperoxoic acid, 3-(trifluoromethyl)-)
55349-62-7 structure
Product Name:Benzenecarboperoxoic acid, 3-(trifluoromethyl)-
CAS No:55349-62-7
MF:C8H5F3O3
MW:206.118713140488
CID:352192
PubChem ID:53830571
Update Time:2025-04-19
Benzenecarboperoxoic acid, 3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarboperoxoic acid, 3-(trifluoromethyl)-
- 3-(trifluoromethyl)benzenecarboperoxoic acid
- SCHEMBL11802784
- DTXSID90706983
- 55349-62-7
- 3-(Trifluoromethyl)benzene-1-carboperoxoic acid
- GCDIHXGIRSXGQZ-UHFFFAOYSA-N
-
- Inchi： 1S/C8H5F3O3/c9-8(10,11)6-3-1-2-5(4-6)7(12)14-13/h1-4,13H
- InChI Key： GCDIHXGIRSXGQZ-UHFFFAOYSA-N
- SMILES： FC(C1C=CC=C(C(=O)OO)C=1)(F)F
Computed Properties
- Exact Mass: 206.01905
- Monoisotopic Mass: 206.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 214
- 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: 2.8
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzenecarboperoxoic acid, 3-(trifluoromethyl)- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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