| CAS Number | 874288-25-2 |
| Catalog Number | AG01FNWS(AGN-PC-3H5NJL) |
| Chemical Name | Boronic acid, B-[3-[[[(4-chlorophenyl)methyl]amino]carbonyl]phenyl]- |
| IUPAC Name | [3-[(4-chlorophenyl)methylcarbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H13BClNO3/c16-13-6-4-10(5-7-13)9-17-14(18)11-2-1-3-12(8-11)15(19)20/h1-8,19-20H,9H2,(H,17,18) |
| InChI Key | QERRVDPQOPGUDF-UHFFFAOYSA-N |
| MDL Number | MFCD28167476 |
| Molecular Formula | C14H13BClNO3 |
| Molecular Weight | 289.5219 |
| SMILES | O=C(NCC1=CC=C(C=C1)Cl)C2=CC(B(O)O)=CC=C2 |
| Synonyms | Boronic acid, b-[3-[[[(4-chlorophenyl)methyl]amino]carbonyl]phenyl]-,
874288-25-2,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.522g/mol |
| Monoisotopic Mass | 289.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number