| CAS Number | 1801408-17-2 |
| Catalog Number | AG00I00F |
| Chemical Name | 3-Amino-5-carbamoylphenylboronic acid |
| IUPAC Name | (3-amino-5-carbamoylphenyl)boronic acid |
| InChI | InChI=1S/C7H9BN2O3/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,9H2,(H2,10,11) |
| InChI Key | SGUFPLUNZOZMTQ-UHFFFAOYSA-N |
| MDL Number | MFCD22192442 |
| Molecular Formula | C7H9BN2O3 |
| Molecular Weight | 179.9690 |
| SMILES | NC(C1=CC(N)=CC(B(O)O)=C1)=O |
| Synonyms | 3-Amino-5-carbamoylphenylboronic acid,
1801408-17-2,
(3-AMINO-5-CARBAMOYLPHENYL)BORONIC ACID,
KM3691,
MFCD22192442,
AKOS026671097,
ZINC169977997,
Y2465,
C7H9BN2O3,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.97g/mol |
| Monoisotopic Mass | 180.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number