Isoquinoline-4-boronic Acid - CAS 192182-56-2
Catalog: |
BB014856 |
Product Name: |
Isoquinoline-4-boronic Acid |
CAS: |
192182-56-2 |
Synonyms: |
4-isoquinolinylboronic acid; isoquinolin-4-ylboronic acid |
IUPAC Name: | isoquinolin-4-ylboronic acid |
Description: | Isoquinoline-4-boronic Acid (CAS# 192182-56-2) is a useful research chemical. |
Molecular Weight: | 172.98 |
Molecular Formula: | C9H8NO2B |
Canonical SMILES: | B(C1=CN=CC2=CC=CC=C12)(O)O |
InChI: | InChI=1S/C9H8BNO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6,12-13H |
InChI Key: | GDTOUTKTCGPAGY-UHFFFAOYSA-N |
Boiling Point: | 419.1 °C at 760 mmHg |
Density: | 1.28 g/cm3 |
Appearance: | White to yellow solid |
MDL: | MFCD03412093 |
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-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
WO-2021211864-A1 | Fused tricyclic kras inhibitors | 20200416 |
CN-113121528-A | Multi-target inhibition compound, composition, functional molecule and application thereof | 20200115 |
WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 20200115 |
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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