| CAS Number | 1884477-63-7 |
| Catalog Number | AG00I2QX(AGN-PC-0WOH25) |
| Chemical Name | 2-Benzyloxy-4-cyanophenylboronic acid |
| IUPAC Name | (4-cyano-2-phenylmethoxyphenyl)boronic acid |
| InChI | InChI=1S/C14H12BNO3/c16-9-12-6-7-13(15(17)18)14(8-12)19-10-11-4-2-1-3-5-11/h1-8,17-18H,10H2 |
| InChI Key | XZRSYTVVAXXTTL-UHFFFAOYSA-N |
| MDL Number | MFCD20441839 |
| Molecular Formula | C14H12BNO3 |
| Molecular Weight | 253.0610 |
| SMILES | N#Cc1ccc(c(c1)OCc1ccccc1)B(O)O |
| Synonyms | 2-Benzyloxy-4-cyanophenylboronic acid,
1884477-63-7,
(2-(Benzyloxy)-4-cyanophenyl)boronic acid,
MFCD20441839,
ZINC169955551,
Y2257,
B-8814,
C14H12BNO3,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.064g/mol |
| Monoisotopic Mass | 253.091g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number