Cas no 873005-19-7 (Benzoic acid, 2-methyl-5-(trifluoromethyl)-, 1,1-dimethylethyl ester)
873005-19-7 structure
Product Name:Benzoic acid, 2-methyl-5-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No:873005-19-7
MF:C13H15F3O2
MW:260.252214670181
CID:1872456
PubChem ID:67119267
Update Time:2025-04-21
Benzoic acid, 2-methyl-5-(trifluoromethyl)-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-methyl-5-(trifluoromethyl)-, 1,1-dimethylethyl ester
- 1,1-Dimethylethyl 2-methyl-5-(trifluoromethyl)benzoate
- 873005-19-7
- SCHEMBL1679303
- DTXSID001208435
- tert-butyl 2-methyl-5-(trifluoromethyl)benzoate
-
- Inchi： 1S/C13H15F3O2/c1-8-5-6-9(13(14,15)16)7-10(8)11(17)18-12(2,3)4/h5-7H,1-4H3
- InChI Key： TVCMQAZNAYYNNG-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(C)=C(C=1)C(=O)OC(C)(C)C)(F)F
Computed Properties
- Exact Mass: 260.10241420Da
- Monoisotopic Mass: 260.10241420Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 304
- 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
- Topological Polar Surface Area: 26.3?2
Benzoic acid, 2-methyl-5-(trifluoromethyl)-, 1,1-dimethylethyl ester Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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