| CAS Number | 1311165-78-2 |
| Catalog Number | AG01FNMP(AGN-PC-3H4BFO) |
| Chemical Name | Boronic acid, B-[2-[(2-fluorophenyl)methoxy]phenyl]- |
| IUPAC Name | [2-[(2-fluorophenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H12BFO3/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17/h1-8,16-17H,9H2 |
| InChI Key | UMSPHQRRVCBNDV-UHFFFAOYSA-N |
| MDL Number | MFCD11540648 |
| Molecular Formula | C13H12BFO3 |
| Molecular Weight | 246.0420 |
| SMILES | O(Cc1c(F)cccc1)c1c(B(O)O)cccc1 |
| Synonyms | SCHEMBL2561219,
AS-68980,
2-(2-FLUOROBENZYLOXY)PHENYLBORONIC ACID,
{2-[(2-fluorophenyl)methoxy]phenyl}boronic acid,
1311165-78-2,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.086353g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.04g/mol |
| Monoisotopic Mass | 246.086353g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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