| CAS Number | 727396-17-0 |
| Catalog Number | AG01FPKC(AGN-PC-0HGLCZ) |
| Chemical Name | Boronic acid, [3-[[[(2,4-dimethoxyphenyl)methyl]amino]carbonyl]phenyl]- (9CI) |
| IUPAC Name | [3-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C16H18BNO5/c1-22-14-7-6-12(15(9-14)23-2)10-18-16(19)11-4-3-5-13(8-11)17(20)21/h3-9,20-21H,10H2,1-2H3,(H,18,19) |
| InChI Key | NTASUCWONUQWHH-UHFFFAOYSA-N |
| MDL Number | MFCD28166920 |
| Molecular Formula | C16H18BNO5 |
| Molecular Weight | 315.1288 |
| SMILES | OB(O)C1=CC(C(NCC2=CC=C(OC)C=C2OC)=O)=CC=C1 |
| Synonyms | SCHEMBL2654682,
AS-73443,
(3-{[(2,4-dimethoxyphenyl)methyl]carbamoyl}phenyl)boronic acid,
727396-17-0,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.127803g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.1g/mol |
| Monoisotopic Mass | 315.127803g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 88Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number