| CAS Number | 913198-22-8 |
| Catalog Number | AG01FQ11(AGN-PC-3H5P87) |
| Chemical Name | B-[4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]phenyl]Boronic acid |
| IUPAC Name | [4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C16H18BNO3/c1-11(2)12-5-9-15(10-6-12)18-16(19)13-3-7-14(8-4-13)17(20)21/h3-11,20-21H,1-2H3,(H,18,19) |
| InChI Key | INNOUHJWXUHJED-UHFFFAOYSA-N |
| MDL Number | MFCD32206403 |
| Molecular Formula | C16H18BNO3 |
| Molecular Weight | 283.1300 |
| SMILES | C(=O)(Nc1ccc(cc1)C(C)C)c1ccc(cc1)B(O)O |
| Synonyms | AS-72023,
(4-{[4-(propan-2-yl)phenyl]carbamoyl}phenyl)boronic acid,
913198-22-8,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.137974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.1g/mol |
| Monoisotopic Mass | 283.137974g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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