| CAS Number | 2246588-01-0 |
| Catalog Number | AG00SOAK(AGN-PC-3H4G41) |
| Chemical Name | {4-[(cyclopropylcarbamoyl)amino]-3-methylphenyl}boronic acid |
| IUPAC Name | [4-(cyclopropylcarbamoylamino)-3-methylphenyl]boronic acid |
| InChI | InChI=1S/C11H15BN2O3/c1-7-6-8(12(16)17)2-5-10(7)14-11(15)13-9-3-4-9/h2,5-6,9,16-17H,3-4H2,1H3,(H2,13,14,15) |
| InChI Key | CHISLHWNABXDRK-UHFFFAOYSA-N |
| MDL Number | MFCD32206364 |
| Molecular Formula | C11H15BN2O3 |
| Molecular Weight | 234.0594 |
| SMILES | C1(CC1)NC(NC1=C(C=C(C=C1)B(O)O)C)=O |
| Synonyms | AS-70954,
{4-[(cyclopropylcarbamoyl)amino]-3-methylphenyl}boronic acid,
2246588-01-0,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.117572g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.06g/mol |
| Monoisotopic Mass | 234.117572g/mol |
| Rotatable Bond Count | 3 |
| 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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