| CAS Number | 397843-72-0 |
| Catalog Number | AG01FPKL(AGN-PC-0NBRJ9) |
| Chemical Name | Boronic acid, [3-[(dibutylamino)carbonyl]phenyl]- (9CI) |
| IUPAC Name | [3-(dibutylcarbamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C15H24BNO3/c1-3-5-10-17(11-6-4-2)15(18)13-8-7-9-14(12-13)16(19)20/h7-9,12,19-20H,3-6,10-11H2,1-2H3 |
| InChI Key | UEUNTIZOTIFCJK-UHFFFAOYSA-N |
| MDL Number | MFCD28166637 |
| Molecular Formula | C15H24BNO3 |
| Molecular Weight | 277.1670 |
| SMILES | O=C(N(CCCC)CCCC)C1=CC(B(O)O)=CC=C1 |
| Synonyms | Boronic acid, [3-[(dibutylamino)carbonyl]phenyl]-,
397843-72-0,
[3-(dibutylcarbamoyl)phenyl]boronic Acid,
SCHEMBL6355135,
AS-69824,
CID10858777,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.184924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.17g/mol |
| Monoisotopic Mass | 277.184924g/mol |
| Rotatable Bond Count | 8 |
| 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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