| CAS Number | 1411993-34-4 |
| Catalog Number | AG01FNNB(AGN-PC-3H4BGB) |
| Chemical Name | (2-(((4-(methoxycarbonyl)phenyl)amino)methyl)phenyl)boronic acid |
| IUPAC Name | [2-[(4-methoxycarbonylanilino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C15H16BNO4/c1-21-15(18)11-6-8-13(9-7-11)17-10-12-4-2-3-5-14(12)16(19)20/h2-9,17,19-20H,10H2,1H3 |
| InChI Key | GLKMTPGJBUGOKE-UHFFFAOYSA-N |
| MDL Number | MFCD27977090 |
| Molecular Formula | C15H16BNO4 |
| Molecular Weight | 285.1028 |
| SMILES | COC(=O)C1=CC=C(C=C1)NCC1=C(C=CC=C1)B(O)O |
| Synonyms | SCHEMBL13830817,
AS-71694,
[2-({[4-(methoxycarbonyl)phenyl]amino}methyl)phenyl]boronic acid,
1411993-34-4,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.117238g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.1g/mol |
| Monoisotopic Mass | 285.117238g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 78.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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