3-(1-Piperidinylsulfonyl)phenylboronic Acid - CAS 690662-96-5
Catalog: |
BB033691 |
Product Name: |
3-(1-Piperidinylsulfonyl)phenylboronic Acid |
CAS: |
690662-96-5 |
Synonyms: |
[3-(1-piperidinylsulfonyl)phenyl]boronic acid; (3-piperidin-1-ylsulfonylphenyl)boronic acid |
IUPAC Name: | (3-piperidin-1-ylsulfonylphenyl)boronic acid |
Description: | 3-(1-Piperidinylsulfonyl)phenylboronic Acid (CAS# 690662-96-5) is a useful research chemical. |
Molecular Weight: | 269.13 |
Molecular Formula: | C11H16NO4SB |
Canonical SMILES: | B(C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)(O)O |
InChI: | InChI=1S/C11H16BNO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h4-6,9,14-15H,1-3,7-8H2 |
InChI Key: | HQOWPGGTRBFYFE-UHFFFAOYSA-N |
LogP: | 0.55970 |
Publication Number | Title | Priority Date |
AU-2012302197-A1 | Heterocyclic compounds and uses thereof | 20110829 |
AU-2012302197-B2 | Heterocyclic compounds and uses thereof | 20110829 |
AU-2016202158-A1 | Heterocyclic compounds and uses thereof | 20110829 |
CA-2846431-A1 | Heterocyclic compounds and uses thereof | 20110829 |
EP-2751093-A1 | Heterocyclic compounds and uses thereof | 20110829 |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.0893093 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.0893093 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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