1-Isopentyl-1H-pyrazole-5-boronic acid - CAS 847818-66-0
Catalog: |
BB063865 |
Product Name: |
1-Isopentyl-1H-pyrazole-5-boronic acid |
CAS: |
847818-66-0 |
Synonyms: |
(1-Isopentyl-1H-pyrazol-5-yl)boronic acid; 1-Isopentyl-1H-pyrazole-5-boronic acid; [2-(3-methylbutyl)pyrazol-3-yl]boronic Acid; (1-Isopentyl-1H-pyrazol-5-yl)boronicacid |
IUPAC Name: | [2-(3-methylbutyl)pyrazol-3-yl]boronic acid |
Description: | 1-Isopentyl-1H-pyrazole-5-boronic acid |
Molecular Weight: | 182.03 |
Molecular Formula: | C8H15BN2O2 |
Canonical SMILES: | B(C1=CC=NN1CCC(C)C)(O)O |
InChI: | InChI=1S/C8H15BN2O2/c1-7(2)4-6-11-8(9(12)13)3-5-10-11/h3,5,7,12-13H,4,6H2,1-2H3 |
InChI Key: | CWFZHICUFOUGRG-UHFFFAOYSA-N |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.1226579 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.1226579 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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