| CAS Number | 1335234-26-8 |
| Catalog Number | AG01AJN4 |
| Chemical Name | {2-[(2,4-Difluorophenyl)methoxy]phenyl}boronic acid |
| IUPAC Name | [2-[(2,4-difluorophenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H11BF2O3/c15-10-6-5-9(12(16)7-10)8-19-13-4-2-1-3-11(13)14(17)18/h1-7,17-18H,8H2 |
| InChI Key | WHTAOABISMWPQO-UHFFFAOYSA-N |
| MDL Number | MFCD17451861 |
| Molecular Formula | C13H11BF2O3 |
| Molecular Weight | 264.0324 |
| SMILES | OB(C1=CC=CC=C1OCC2=CC=C(F)C=C2F)O |
| Synonyms | {2-[(2,4-difluorophenyl)methoxy]phenyl}boronic acid,
1335234-26-8,
SCHEMBL2556251,
AKOS011478123,
ZINC169926594,
NE35292,
EN300-81409,
{2-[(2,4-difluorophenyl)methoxy]phenyl}boranediol,
|
| 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