| CAS Number | 211495-28-2 |
| Catalog Number | AG006Z3I(AGN-PC-0WA9ZZ) |
| Chemical Name | 4-Benzyloxy-2-methoxyphenylboronic acid |
| IUPAC Name | (2-methoxy-4-phenylmethoxyphenyl)boronic acid |
| InChI | InChI=1S/C14H15BO4/c1-18-14-9-12(7-8-13(14)15(16)17)19-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3 |
| InChI Key | OCRDUFMMMZJZQV-UHFFFAOYSA-N |
| MDL Number | MFCD22375025 |
| Molecular Formula | C14H15BO4 |
| Molecular Weight | 258.0775 |
| SMILES | COc1cc(OCc2ccccc2)ccc1B(O)O |
| Synonyms | 4-Benzyloxy-2-methoxyphenylboronic acid,
211495-28-2,
ACMC-209fi2,
SCHEMBL6500766,
CTK8B1181,
DTXSID30514403,
OCRDUFMMMZJZQV-UHFFFAOYSA-N,
ANW-24360,
MFCD22375025,
AKOS025293758,
ZINC169978216,
4-benzyloxy-2-methoxy-phenylboronic acid,
OR360690,
TC-113105,
[4-(Benzyloxy)-2-methoxyphenyl]boronic acid,
V4317,
B-9073,
C14H15BO4,
(4-(benzyloxy)-2-methoxyphenyl)boronic acid,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.08g/mol |
| Monoisotopic Mass | 258.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number