| CAS Number | 2246616-92-0 |
| Catalog Number | AG00RO5B(AGN-PC-3H4G32) |
| Chemical Name | {3-methyl-4-[(methylcarbamoyl)amino]phenyl}boronic acid |
| IUPAC Name | [3-methyl-4-(methylcarbamoylamino)phenyl]boronic acid |
| InChI | InChI=1S/C9H13BN2O3/c1-6-5-7(10(14)15)3-4-8(6)12-9(13)11-2/h3-5,14-15H,1-2H3,(H2,11,12,13) |
| InChI Key | IBZOIHCUKYNYSY-UHFFFAOYSA-N |
| MDL Number | MFCD32206340 |
| Molecular Formula | C9H13BN2O3 |
| Molecular Weight | 208.0221 |
| SMILES | OB(C1=CC=C(NC(NC)=O)C(C)=C1)O |
| Synonyms | AS-69817,
{3-methyl-4-[(methylcarbamoyl)amino]phenyl}boronic acid,
2246616-92-0,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.101923g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.02g/mol |
| Monoisotopic Mass | 208.101923g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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