| CAS Number | 874288-03-6 |
| Catalog Number | AG01FPHC(AGN-PC-3H5OO2) |
| Chemical Name | B-[4-[[(3-chlorophenyl)amino]carbonyl]phenyl]Boronic acid |
| IUPAC Name | [4-[(3-chlorophenyl)carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H11BClNO3/c15-11-2-1-3-12(8-11)16-13(17)9-4-6-10(7-5-9)14(18)19/h1-8,18-19H,(H,16,17) |
| InChI Key | OMWYHDFOYQPGPC-UHFFFAOYSA-N |
| MDL Number | MFCD31648862 |
| Molecular Formula | C13H11BClNO3 |
| Molecular Weight | 275.4953 |
| SMILES | O=C(C1=CC=C(B(O)O)C=C1)NC2=CC=CC(Cl)=C2 |
| Synonyms | AS-70309,
{4-[(3-chlorophenyl)carbamoyl]phenyl}boronic acid,
874288-03-6,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.052051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.5g/mol |
| Monoisotopic Mass | 275.052051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6Ų |
| 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