| CAS Number | 1423129-20-7 |
| Catalog Number | AG009X18 |
| Chemical Name | 3-Amino-5-(cyclopropylcarbamoyl)phenylboronic acid |
| IUPAC Name | [3-amino-5-(cyclopropylcarbamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H13BN2O3/c12-8-4-6(3-7(5-8)11(15)16)10(14)13-9-1-2-9/h3-5,9,15-16H,1-2,12H2,(H,13,14) |
| InChI Key | FKFCXZDGUCEVJV-UHFFFAOYSA-N |
| MDL Number | MFCD22192451 |
| Molecular Formula | C10H13BN2O3 |
| Molecular Weight | 220.0328 |
| SMILES | Nc1cc(cc(c1)B(O)O)C(=O)NC1CC1 |
| Synonyms | 3-AMINO-5-(CYCLOPROPYLCARBAMOYL)PHENYLBORONIC ACID,
1423129-20-7,
C10H13BN2O3,
KM3700,
MFCD22192451,
AKOS025293543,
ZINC169978030,
OR360639,
V3202,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.035g/mol |
| Monoisotopic Mass | 220.102g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number