| CAS Number | 2096335-69-0 |
| Catalog Number | AG01EHQB |
| Chemical Name | 5-Benzyloxy-2,4-difluorophenylboronic acid |
| IUPAC Name | (2,4-difluoro-5-phenylmethoxyphenyl)boronic acid |
| InChI | InChI=1S/C13H11BF2O3/c15-11-7-12(16)13(6-10(11)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2 |
| InChI Key | PRNFGNBWYJGOGS-UHFFFAOYSA-N |
| MDL Number | MFCD18783137 |
| Molecular Formula | C13H11BF2O3 |
| Molecular Weight | 264.0324 |
| SMILES | OB(C1=CC(OCC2=CC=CC=C2)=C(F)C=C1F)O |
| Synonyms | 5-BENZYLOXY-2,4-DIFLUOROPHENYLBORONIC ACID,
2096335-69-0,
(5-(Benzyloxy)-2,4-difluorophenyl)boronic acid,
MFCD18783137,
ZINC169934889,
Y2792,
B-9416,
C13H11BF2O3,
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| Complexity | 275 |
| 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