| CAS Number | 397843-73-1 |
| Catalog Number | AG01FPGW(AGN-PC-00GMK7) |
| Chemical Name | Boronic acid, [3-[[bis(phenylmethyl)amino]carbonyl]phenyl]- (9CI) |
| IUPAC Name | [3-(dibenzylcarbamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C21H20BNO3/c24-21(19-12-7-13-20(14-19)22(25)26)23(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14,25-26H,15-16H2 |
| InChI Key | XWMLAINNRCKKDD-UHFFFAOYSA-N |
| MDL Number | MFCD32206396 |
| Molecular Formula | C21H20BNO3 |
| Molecular Weight | 345.1994 |
| SMILES | C(C1=CC=CC=C1)N(C(=O)C=1C=C(C=CC1)B(O)O)CC1=CC=CC=C1 |
| Synonyms | [3-(dibenzylcarbamoyl)phenyl]boronic Acid,
SCHEMBL6356160,
AS-71865,
397843-73-1,
CID11810101,
|
| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.153624g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.2g/mol |
| Monoisotopic Mass | 345.153624g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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