| CAS Number | 1287753-38-1 |
| Catalog Number | AG00HRUT(AGN-PC-0WB3MU) |
| Chemical Name | [4-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]boronic acid |
| IUPAC Name | [4-chloro-2-(3,5-dimethylpyrazol-1-yl)phenyl]boronic acid |
| InChI | InChI=1S/C11H12BClN2O2/c1-7-5-8(2)15(14-7)11-6-9(13)3-4-10(11)12(16)17/h3-6,16-17H,1-2H3 |
| InChI Key | RHBQEOVZNHLSCQ-UHFFFAOYSA-N |
| MDL Number | MFCD08059990 |
| Molecular Formula | C11H12BClN2O2 |
| Molecular Weight | 250.4892 |
| SMILES | N1(C(C)=CC(C)=N1)C1=CC(Cl)=CC=C1B(O)O |
| Synonyms | 1287753-38-1,
[4-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]boronic acid,
(4-Chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)boronic acid,
SCHEMBL15330995,
ZX-CM004586,
MFCD08059990,
AKOS022185059,
ZINC169946267,
Y-3535,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.489g/mol |
| Monoisotopic Mass | 250.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number