| CAS Number | 212554-91-1 |
| Catalog Number | AG007OL5(AGN-PC-0NBZR2) |
| Chemical Name | Boronic acid, [4-[[bis(phenylmethyl)amino]carbonyl]phenyl]- |
| IUPAC Name | [4-(dibenzylcarbamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C21H20BNO3/c24-21(19-11-13-20(14-12-19)22(25)26)23(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,25-26H,15-16H2 |
| InChI Key | CHSOUVYTOYGNEX-UHFFFAOYSA-N |
| MDL Number | MFCD30570629 |
| Molecular Formula | C21H20BNO3 |
| Molecular Weight | 345.1994 |
| SMILES | OB(O)C1=CC=C(C(N(CC2=CC=CC=C2)CC3=CC=CC=C3)=O)C=C1 |
| Synonyms | Boronic acid, [4-[[bis(phenylmethyl)amino]carbonyl]phenyl]-,
212554-91-1,
SCHEMBL177442,
CTK0I9583,
DTXSID20446623,
AKOS030568815,
CID10871672,
[4-(dibenzylcarbamoyl)phenyl]boronic Acid,
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| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.205g/mol |
| Monoisotopic Mass | 345.154g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number