| CAS Number | 1313761-57-7 |
| Catalog Number | AG01DV8K |
| Chemical Name | {2-[(2-chlorophenyl)methoxy]-5-methylphenyl}boronic acid |
| IUPAC Name | [2-[(2-chlorophenyl)methoxy]-5-methylphenyl]boronic acid |
| InChI | InChI=1S/C14H14BClO3/c1-10-6-7-14(12(8-10)15(17)18)19-9-11-4-2-3-5-13(11)16/h2-8,17-18H,9H2,1H3 |
| InChI Key | YWQNHKCWUMKTSL-UHFFFAOYSA-N |
| MDL Number | MFCD12634055 |
| Molecular Formula | C14H14BClO3 |
| Molecular Weight | 276.5232 |
| SMILES | CC1=CC(B(O)O)=C(OCC2=C(Cl)C=CC=C2)C=C1 |
| Synonyms | (2-[(2-chlorophenyl)methoxy]-5-methylphenyl)boronic acid,
1313761-57-7,
SCHEMBL2555102,
|
| Complexity | 277 |
| 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
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