4-Quinolineboronic Acid - CAS 371764-64-6
Catalog: |
BB023217 |
Product Name: |
4-Quinolineboronic Acid |
CAS: |
371764-64-6 |
Synonyms: |
4-quinolinylboronic acid; quinolin-4-ylboronic acid |
IUPAC Name: | quinolin-4-ylboronic acid |
Description: | 4-Quinolineboronic Acid (CAS# 371764-64-6) is a reactant in the synthesis of NSC 12155, a small molecule inhibitor of anthrax lethal factor toxin. |
Molecular Weight: | 172.98 |
Molecular Formula: | C9H8NO2B |
Canonical SMILES: | B(C1=CC=NC2=CC=CC=C12)(O)O |
InChI: | InChI=1S/C9H8BNO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6,12-13H |
InChI Key: | KATIRQRAVXTBNY-UHFFFAOYSA-N |
Boiling Point: | 400.3 ℃ at 760 mmHg |
Density: | 1.28 g/cm3 |
MDL: | MFCD03095174 |
LogP: | -0.08540 |
Publication Number | Title | Priority Date |
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 |
US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 20200110 |
CN-111039881-A | Organic compound and electronic device | 20190925 |
CN-111039881-B | Organic compound and electronic device | 20190925 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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