| CAS Number | 1487353-35-4 |
| Catalog Number | AG00J2OQ(AGN-PC-0WB62R) |
| Chemical Name | [3-(1-methyl-1H-pyrazol-5-yl)phenyl]boronic acid |
| IUPAC Name | [3-(2-methylpyrazol-3-yl)phenyl]boronic acid |
| InChI | InChI=1S/C10H11BN2O2/c1-13-10(5-6-12-13)8-3-2-4-9(7-8)11(14)15/h2-7,14-15H,1H3 |
| InChI Key | VISQEUJMQDFZKE-UHFFFAOYSA-N |
| MDL Number | MFCD21364401 |
| Molecular Formula | C10H11BN2O2 |
| Molecular Weight | 202.0175 |
| SMILES | C1(=CC=NN1C)C1=CC=CC(=C1)B(O)O |
| Synonyms | [3-(1-methyl-1H-pyrazol-5-yl)phenyl]boronic acid,
1487353-35-4,
(3-(1-Methyl-1H-pyrazol-5-yl)phenyl)boronic acid,
ALBB-028855,
ZX-AN079668,
ZX-CM010307,
STL434072,
AKOS016347777,
ZINC169794313,
Y-8449,
boronic acid, [3-(1-methyl-1H-pyrazol-5-yl)phenyl]-,
[3-(1-Methyl-1H-pyrazol-5-yl)phenyl]boronic acid, AldrichCPR,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.091358g/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 | 202.091358g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number