5-Methylpyrazole-3-boronic Acid - CAS 1163248-54-1
Catalog: |
BB003741 |
Product Name: |
5-Methylpyrazole-3-boronic Acid |
CAS: |
1163248-54-1 |
Synonyms: |
(3-methyl-1H-pyrazol-5-yl)boronic acid; (3-methyl-1H-pyrazol-5-yl)boronic acid |
IUPAC Name: | (3-methyl-1H-pyrazol-5-yl)boronic acid |
Description: | 5-Methylpyrazole-3-boronic Acid (CAS# 1163248-54-1) is a useful research chemical compound. |
Molecular Weight: | 125.92 |
Molecular Formula: | C4H7N2O2B |
Canonical SMILES: | B(C1=CC(=NN1)C)(O)O |
InChI: | InChI=1S/C4H7BN2O2/c1-3-2-4(5(8)9)7-6-3/h2,8-9H,1H3,(H,6,7) |
InChI Key: | VWENLWUOIPCRRJ-UHFFFAOYSA-N |
LogP: | -1.60210 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.0600576 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.0600576 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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