| CAS Number | 1334218-91-5 |
| Catalog Number | AG01FL79(AGN-PC-3H4B2A) |
| Chemical Name | (5-fluoro-2-((2-methoxyethoxy)methyl)phenyl)boronic acid |
| IUPAC Name | [5-fluoro-2-(2-methoxyethoxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H14BFO4/c1-15-4-5-16-7-8-2-3-9(12)6-10(8)11(13)14/h2-3,6,13-14H,4-5,7H2,1H3 |
| InChI Key | DTQLLLGBSKKXFL-UHFFFAOYSA-N |
| MDL Number | MFCD14687275 |
| Molecular Formula | C10H14BFO4 |
| Molecular Weight | 228.0252 |
| SMILES | FC=1C=CC(=C(C1)B(O)O)COCCOC |
| Synonyms | 1334218-91-5,
(5-fluoro-2-((2-methoxyethoxy)methyl)phenyl)boronic acid,
{5-fluoro-2-[(2-methoxyethoxy)methyl]phenyl}boronic acid,
AKOS010795843,
AS-55532,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.026g/mol |
| Monoisotopic Mass | 228.097g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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