(E)-5-(2-Ethoxycarbonylethen-1-yl)-2-fluorophenylboronic acid - CAS 1855897-91-4
Catalog: |
BB065948 |
Product Name: |
(E)-5-(2-Ethoxycarbonylethen-1-yl)-2-fluorophenylboronic acid |
CAS: |
1855897-91-4 |
Synonyms: |
(E)-5-(2-Ethoxycarbonylethen-1-yl)-2-fluorophenylboronic acid; [5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-fluorophenyl]boronic acid |
IUPAC Name: | [5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-fluorophenyl]boronic acid |
Description: | (E)-5-(2-Ethoxycarbonylethen-1-yl)-2-fluorophenylboronic acid |
Molecular Weight: | 238.02 |
Molecular Formula: | C11H12BFO4 |
Canonical SMILES: | B(C1=C(C=CC(=C1)C=CC(=O)OCC)F)(O)O |
InChI: | InChI=1S/C11H12BFO4/c1-2-17-11(14)6-4-8-3-5-10(13)9(7-8)12(15)16/h3-7,15-16H,2H2,1H3/b6-4+ |
InChI Key: | FWSMEQXPHWAOMM-GQCTYLIASA-N |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 238.0812672 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.0812672 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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