| CAS Number | 1375184-43-2 |
| Catalog Number | AG009ZUN(AGN-PC-0WAJ7R) |
| Chemical Name | Benzimidazole-2-boronic acid |
| IUPAC Name | 1H-benzimidazol-2-ylboronic acid |
| InChI | InChI=1S/C7H7BN2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4,11-12H,(H,9,10) |
| InChI Key | FCMOQAOHOLTYBA-UHFFFAOYSA-N |
| MDL Number | MFCD08062409 |
| Molecular Formula | C7H7BN2O2 |
| Molecular Weight | 161.9537 |
| SMILES | B(C1=NC2=CC=CC=C2N1)(O)O |
| Synonyms | Benzimidazole-2-boronic acid,
1375184-43-2,
1H-benzimidazol-2-ylboronic acid,
PubChem7876,
(1H-1,3-benzodiazol-2-yl)boronic acid,
(1H-Benzo[d]imidazol-2-yl)boronic acid,
benzimidazoleboronic acid,
SCHEMBL990574,
CTK7I2651,
FCMOQAOHOLTYBA-UHFFFAOYSA-N,
AKOS006284970,
ZINC198070833,
Boronic acid, B-1H-benzimidazol-2-yl-,
EN001108,
A827253,
1H-benzo[d]imidazol-2-ylboronic acid,
ACN-053370,
475102-13-7,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.955g/mol |
| Monoisotopic Mass | 162.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number