Isoquinoline-6-boronic Acid - CAS 899438-92-7
Catalog: |
BB039707 |
Product Name: |
Isoquinoline-6-boronic Acid |
CAS: |
899438-92-7 |
Synonyms: |
6-isoquinolinylboronic acid; isoquinolin-6-ylboronic acid |
IUPAC Name: | isoquinolin-6-ylboronic acid |
Description: | Isoquinoline-6-boronic Acid (CAS# 899438-92-7) is a useful research chemical. |
Molecular Weight: | 172.98 |
Molecular Formula: | C9H8NO2B |
Canonical SMILES: | B(C1=CC2=C(C=C1)C=NC=C2)(O)O |
InChI: | InChI=1S/C9H8BNO2/c12-10(13)9-2-1-8-6-11-4-3-7(8)5-9/h1-6,12-13H |
InChI Key: | OBUOMTRFSCUDKS-UHFFFAOYSA-N |
Boiling Point: | 419.1 °C at 760 mmHg |
Density: | 1.28 g/cm3 |
LogP: | -0.08540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112409241-A | Organic compound, application thereof and organic electroluminescent device adopting organic compound | 20201127 |
WO-2020257487-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20190619 |
CN-111978317-A | Imidazopyridine MNK1/MNK2 kinase inhibitor and preparation method and application thereof | 20190522 |
US-2019375753-A1 | Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses | 20180605 |
WO-2019236631-A1 | Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses | 20180605 |
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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