| CAS Number | 1538623-29-8 |
| Catalog Number | AG01FPK7(AGN-PC-3H5P05) |
| Chemical Name | Boronic acid, B-[3-[[(2-aminophenyl)amino]carbonyl]phenyl]- |
| IUPAC Name | [3-[(2-aminophenyl)carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H13BN2O3/c15-11-6-1-2-7-12(11)16-13(17)9-4-3-5-10(8-9)14(18)19/h1-8,18-19H,15H2,(H,16,17) |
| InChI Key | AGKNNSIYZIVQDD-UHFFFAOYSA-N |
| MDL Number | MFCD28167445 |
| Molecular Formula | C13H13BN2O3 |
| Molecular Weight | 256.0649 |
| SMILES | O=C(C1=CC(B(O)O)=CC=C1)NC2=CC=CC=C2N |
| Synonyms | AS-70754,
{3-[(2-aminophenyl)carbamoyl]phenyl}boronic acid,
1538623-29-8,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.101923g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.07g/mol |
| Monoisotopic Mass | 256.101923g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.6Ų |
| 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