| CAS Number | 1884715-43-8 |
| Catalog Number | AG01FNNS(AGN-PC-3H4BGH) |
| Chemical Name | B-[4-[[(5-chloro-2-pyridinyl)amino]carbonyl]phenyl]Boronic acid |
| IUPAC Name | [4-[(5-chloropyridin-2-yl)carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C12H10BClN2O3/c14-10-5-6-11(15-7-10)16-12(17)8-1-3-9(4-2-8)13(18)19/h1-7,18-19H,(H,15,16,17) |
| InChI Key | WXXVRFJTNFNSIF-UHFFFAOYSA-N |
| MDL Number | MFCD32206385 |
| Molecular Formula | C12H10BClN2O3 |
| Molecular Weight | 276.4834 |
| SMILES | O=C(C1=CC=C(B(O)O)C=C1)NC2=NC=C(Cl)C=C2 |
| Synonyms | AS-71515,
{4-[(5-chloropyridin-2-yl)carbamoyl]phenyl}boronic acid,
1884715-43-8,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.0473g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.48g/mol |
| Monoisotopic Mass | 276.0473g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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