| CAS Number | 475652-18-7 |
| Catalog Number | AG01ALB8 |
| Chemical Name | {4-[(4-chlorophenyl)methoxy]-3-methylphenyl}boronic acid |
| IUPAC Name | [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]boronic acid |
| InChI | InChI=1S/C14H14BClO3/c1-10-8-12(15(17)18)4-7-14(10)19-9-11-2-5-13(16)6-3-11/h2-8,17-18H,9H2,1H3 |
| InChI Key | AOVSUAJHCGSCBH-UHFFFAOYSA-N |
| MDL Number | MFCD19120349 |
| Molecular Formula | C14H14BClO3 |
| Molecular Weight | 276.5232 |
| SMILES | CC1=C(OCC2=CC=C(Cl)C=C2)C=CC(B(O)O)=C1 |
| Synonyms | {4-[(4-chlorophenyl)methoxy]-3-methylphenyl}boronic acid,
475652-18-7,
SCHEMBL6833481,
AKOS006174969,
ZINC199000549,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.523g/mol |
| Monoisotopic Mass | 276.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number