| CAS Number | 1704067-02-6 |
| Catalog Number | AG00AR9N(AGN-PC-0WCRKE) |
| Chemical Name | 3-(tert-butoxyMethyl)-4-fluorophenylboronic acid |
| IUPAC Name | [4-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic acid |
| InChI | InChI=1S/C11H16BFO3/c1-11(2,3)16-7-8-6-9(12(14)15)4-5-10(8)13/h4-6,14-15H,7H2,1-3H3 |
| InChI Key | FHQNNKDHTRPIPU-UHFFFAOYSA-N |
| MDL Number | MFCD28384220 |
| Molecular Formula | C11H16BFO3 |
| Molecular Weight | 226.0523 |
| SMILES | C(OC(C)(C)C)c1cc(B(O)O)ccc1F |
| Synonyms | 1704067-02-6,
(3-(tert-butoxymethyl)-4-fluorophenyl)boronic acid,
MFCD28384220,
AKOS025286575,
ZINC230537211,
AM88317,
AS-55323,
(3-(t-Butoxymethyl)-4-fluorophenyl)boronic acid,
{3-[(tert-butoxy)methyl]-4-fluorophenyl}boronic acid,
3-(TERT-BUTOXYMETHYL)-4-FLUOROPHENYLBORONIC ACID,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.054g/mol |
| Monoisotopic Mass | 226.118g/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
Lot Number