Cas no 255837-23-1 (Methanesulfonic acid, trifluoro-, 3,4-dimethylphenyl ester)
255837-23-1 structure
Product Name:Methanesulfonic acid, trifluoro-, 3,4-dimethylphenyl ester
CAS No:255837-23-1
MF:C9H9F3O3S
MW:254.226172208786
CID:1423200
PubChem ID:12193627
Update Time:2025-04-20
Methanesulfonic acid, trifluoro-, 3,4-dimethylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfonic acid, trifluoro-, 3,4-dimethylphenyl ester
- (3,4-dimethylphenyl) trifluoromethanesulfonate
- 255837-23-1
- SCHEMBL6940149
- NEZHQSLXAUSUTO-UHFFFAOYSA-N
- DTXSID70479906
-
- Inchi： 1S/C9H9F3O3S/c1-6-3-4-8(5-7(6)2)15-16(13,14)9(10,11)12/h3-5H,1-2H3
- InChI Key： NEZHQSLXAUSUTO-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OC1C=CC(C)=C(C)C=1
Computed Properties
- Exact Mass: 254.02200
- Monoisotopic Mass: 254.02244980g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 331
- 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: 3.4
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 51.75000
- LogP: 3.61260
Methanesulfonic acid, trifluoro-, 3,4-dimethylphenyl ester Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
255837-23-1 (Methanesulfonic acid, trifluoro-, 3,4-dimethylphenyl ester) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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