Ethyl 3-Ethoxy-2-(2,4,5-trifluoro-3-methoxybenzoyl)acrylate - CAS 122375-85-3
Catalog: |
BB063240 |
Product Name: |
Ethyl 3-Ethoxy-2-(2,4,5-trifluoro-3-methoxybenzoyl)acrylate |
CAS: |
122375-85-3 |
Synonyms: |
Ethyl 3-ethoxy-2-(2,4,5-trifluoro-3-methoxybenzoyl)acrylate; Ethyl 2-(3-methoxy-2,4,5-triflurobenzoyl)-3-ethoxyacrylate |
IUPAC Name: | ethyl 3-ethoxy-2-(2,4,5-trifluoro-3-methoxybenzoyl)prop-2-enoate |
Molecular Weight: | 332.27 |
Molecular Formula: | C15H15F3O5 |
Canonical SMILES: | CCOC=C(C(=O)C1=CC(=C(C(=C1F)OC)F)F)C(=O)OCC |
InChI: | InChI=1S/C15H15F3O5/c1-4-22-7-9(15(20)23-5-2)13(19)8-6-10(16)12(18)14(21-3)11(8)17/h6-7H,4-5H2,1-3H3 |
InChI Key: | ZIMIAPVHHUISPY-UHFFFAOYSA-N |
Complexity: | 454 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 332.08715806 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 332.08715806 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 61.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2.9 |
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