| CAS Number | 1487353-57-0 |
| Catalog Number | AG00HXNJ(AGN-PC-0WB62T) |
| Chemical Name | [4-(1-Methyl-1h-pyrazol-5-yl)phenyl]boronic acid |
| IUPAC Name | [4-(2-methylpyrazol-3-yl)phenyl]boronic acid |
| InChI | InChI=1S/C10H11BN2O2/c1-13-10(6-7-12-13)8-2-4-9(5-3-8)11(14)15/h2-7,14-15H,1H3 |
| InChI Key | YPHZJQOHWGFTAA-UHFFFAOYSA-N |
| MDL Number | MFCD29035404 |
| Molecular Formula | C10H11BN2O2 |
| Molecular Weight | 202.0175 |
| SMILES | C1(C2=CC=C(C=C2)B(O)O)=CC=NN1C |
| Synonyms | [4-(1-methyl-1H-pyrazol-5-yl)phenyl]boronic acid,
1487353-57-0,
(4-(1-Methyl-1H-pyrazol-5-yl)phenyl)boronic acid,
ALBB-028856,
ZX-AN079669,
ZX-CM010250,
MFCD21364389,
STL434071,
ZINC169963220,
Y-8440,
4-(1-Methyl-1H-pyrazol-5-yl)phenylboronic acid,
boronic acid, [4-(1-methyl-1H-pyrazol-5-yl)phenyl]-,
[4-(2-methylpyrazol-3-yl)phenyl]boronic acid,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.02g/mol |
| Monoisotopic Mass | 202.091g/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