3-Ethoxy-2-fluoro-5-(trifluoromethoxy)phenylboronic acid - CAS 1793003-82-3
Catalog: |
BB066004 |
Product Name: |
3-Ethoxy-2-fluoro-5-(trifluoromethoxy)phenylboronic acid |
CAS: |
1793003-82-3 |
Synonyms: |
3-Ethoxy-2-fluoro-5-(trifluoromethoxy)phenylboronic acid; [3-ethoxy-2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid; 3-Ethoxy-2-fluoro-5-(trifluoromethoxy)phenylboronicacid |
IUPAC Name: | [3-ethoxy-2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid |
Description: | 3-Ethoxy-2-fluoro-5-(trifluoromethoxy)phenylboronic acid |
Molecular Weight: | 267.97 |
Molecular Formula: | C9H9BF4O4 |
Canonical SMILES: | B(C1=CC(=CC(=C1F)OCC)OC(F)(F)F)(O)O |
InChI: | InChI=1S/C9H9BF4O4/c1-2-17-7-4-5(18-9(12,13)14)3-6(8(7)11)10(15)16/h3-4,15-16H,2H2,1H3 |
InChI Key: | MXNMKFPYPKBZGI-UHFFFAOYSA-N |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.0530016 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.0530016 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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