| CAS Number | 1256355-59-5 |
| Catalog Number | AG000O40(AGN-PC-09PZ9A) |
| Chemical Name | 4-Chloro-1H-indole-2-boronic acid |
| IUPAC Name | (4-chloro-1H-indol-2-yl)boronic acid |
| InChI | InChI=1S/C8H7BClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11-13H |
| InChI Key | ZZGLBGIEHZTTTH-UHFFFAOYSA-N |
| MDL Number | MFCD11506061 |
| Molecular Formula | C8H7BClNO2 |
| Molecular Weight | 195.4107 |
| SMILES | OB(c1cc2c([nH]1)cccc2Cl)O |
| Synonyms | 4-CHLORO-1H-INDOLE-2-BORONIC ACID,
1256355-59-5,
(4-Chloro-1H-indol-2-yl)boronic acid,
CTK4B4629,
DTXSID50681888,
FCH890912,
MFCD11506061,
AKOS006326100,
ZINC169935237,
OR360940,
TR-035290,
X1951,
Boronic acid, B-(4-chloro-1H-indol-2-yl)-,
K-1870,
C8H7BClNO2,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.409g/mol |
| Monoisotopic Mass | 195.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.2A^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