| CAS Number | 1256355-81-3 |
| Catalog Number | AG00HICT(AGN-PC-0WNOZ2) |
| Chemical Name | 2-(2,3-Difluorophenylmethoxy)phenyl)boronic acid |
| IUPAC Name | [2-[(2,3-difluorophenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H11BF2O3/c15-11-6-3-4-9(13(11)16)8-19-12-7-2-1-5-10(12)14(17)18/h1-7,17-18H,8H2 |
| InChI Key | ALZGXXJMVCAYEJ-UHFFFAOYSA-N |
| MDL Number | MFCD12591675 |
| Molecular Formula | C13H11BF2O3 |
| Molecular Weight | 264.0324 |
| SMILES | OB(c1ccccc1OCc1cccc(c1F)F)O |
| Synonyms | 1256355-81-3,
(2-((2,3-Difluorobenzyl)oxy)phenyl)boronic acid,
2-(2,3-Difluorophenylmethoxy)phenyl)boronic acid,
SCHEMBL2557398,
MFCD12591675,
AKOS009852236,
ZINC169924040,
2-(2,3-Difluorophenylmethoxy)phenylboronic acid,
2-(2,3-difluorophenylmethoxy)phenyl)boronicacid,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.035g/mol |
| Monoisotopic Mass | 264.077g/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