| CAS Number | 1333391-62-0 |
| Catalog Number | AG01DMHK(AGN-PC-0WCTRM) |
| Chemical Name | (2-(Ethoxymethyl)-5-fluorophenyl)boronic acid |
| IUPAC Name | [2-(ethoxymethyl)-5-fluorophenyl]boronic acid |
| InChI | InChI=1S/C9H12BFO3/c1-2-14-6-7-3-4-8(11)5-9(7)10(12)13/h3-5,12-13H,2,6H2,1H3 |
| InChI Key | JTZHMOXBRKIIQG-UHFFFAOYSA-N |
| MDL Number | MFCD14687265 |
| Molecular Formula | C9H12BFO3 |
| Molecular Weight | 197.9992 |
| SMILES | C(C)OCC1=C(C=C(C=C1)F)B(O)O |
| Synonyms | (2-(ethoxymethyl)-5-fluorophenyl)boronic acid,
1333391-62-0,
[2-(ethoxymethyl)-5-fluorophenyl]boronic acid,
MFCD14687265,
AKOS010795166,
ZINC203174654,
AM86524,
AS-55408,
BBV-32942935,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198g/mol |
| Monoisotopic Mass | 198.086g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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