Quinoline-7-boronic Acid - CAS 629644-82-2
Catalog: |
BB031903 |
Product Name: |
Quinoline-7-boronic Acid |
CAS: |
629644-82-2 |
Synonyms: |
7-quinolinylboronic acid; quinolin-7-ylboronic acid |
IUPAC Name: | quinolin-7-ylboronic acid |
Description: | Quinoline-7-boronic Acid (CAS# 629644-82-2) is a useful research chemical compound. |
Molecular Weight: | 172.98 |
Molecular Formula: | C9H8NO2B |
Canonical SMILES: | B(C1=CC2=C(C=CC=N2)C=C1)(O)O |
InChI: | InChI=1S/C9H8BNO2/c12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h1-6,12-13H |
InChI Key: | ZMEMBOIUHLWVRX-UHFFFAOYSA-N |
LogP: | -0.08540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20200067064-A | Organic compound and organic electroluminescent device comprising the same | 20181203 |
WO-2020116875-A1 | Organic compound and organic electroluminescent element comprising same | 20181203 |
WO-2020087202-A1 | 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of m4 muscarinic acetylcholine receptor | 20181029 |
WO-2020092102-A2 | 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor | 20181029 |
EP-3873467-A2 | 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor | 20181029 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.0648087 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.0648087 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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