2-(3,5-Dimethyl-1-pyrazolyl)-4-methylphenylboronic Acid - CAS 1287753-41-6
Catalog: |
BB006931 |
Product Name: |
2-(3,5-Dimethyl-1-pyrazolyl)-4-methylphenylboronic Acid |
CAS: |
1287753-41-6 |
Synonyms: |
[2-(3,5-dimethyl-1-pyrazolyl)-4-methylphenyl]boronic acid; [2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]boronic acid |
IUPAC Name: | [2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]boronic acid |
Description: | 2-(3,5-Dimethyl-1-pyrazolyl)-4-methylphenylboronic Acid (CAS# 1287753-41-6) is a useful research chemical. |
Molecular Weight: | 230.07 |
Molecular Formula: | C12H15N2O2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C)N2C(=CC(=N2)C)C)(O)O |
InChI: | InChI=1S/C12H15BN2O2/c1-8-4-5-11(13(16)17)12(6-8)15-10(3)7-9(2)14-15/h4-7,16-17H,1-3H3 |
InChI Key: | PBNRTWNGRDPMFC-UHFFFAOYSA-N |
MDL: | MFCD08059989 |
LogP: | 0.47730 |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.1226579 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.1226579 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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