Trifluoromethyl 4-Methylbenzenesulfonate - CAS 175676-42-3
Catalog: |
BB013154 |
Product Name: |
Trifluoromethyl 4-Methylbenzenesulfonate |
CAS: |
175676-42-3 |
Synonyms: |
4-methylbenzenesulfonic acid trifluoromethyl ester; trifluoromethyl 4-methylbenzenesulfonate |
IUPAC Name: | trifluoromethyl 4-methylbenzenesulfonate |
Description: | Trifluoromethyl 4-Methylbenzenesulfonate (CAS# 175676-42-3 ) is a useful research chemical. |
Molecular Weight: | 240.20 |
Molecular Formula: | C8H7F3O3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OC(F)(F)F |
InChI: | InChI=1S/C8H7F3O3S/c1-6-2-4-7(5-3-6)15(12,13)14-8(9,10)11/h2-5H,1H3 |
InChI Key: | NHBKFPDJMAEDOS-UHFFFAOYSA-N |
LogP: | 3.30090 |
Publication Number | Title | Priority Date |
CN-112778311-A | Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof | 20191101 |
CN-111217841-A | Nitrogen-phosphine ligand coordination type trifluoromethoxy reagent and preparation method and application thereof | 20181126 |
CN-111217841-B | Nitrogen-phosphine ligand coordination type trifluoromethoxy reagent and preparation method and application thereof | 20181126 |
CN-101432923-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | 20060427 |
CN-102097654-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | 20060427 |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.00679974 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.00679974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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