8-Bromo-4-hydroxyquinoline-3-carboxylic acid - CAS 35973-17-2
Catalog: |
BB022815 |
Product Name: |
8-Bromo-4-hydroxyquinoline-3-carboxylic acid |
CAS: |
35973-17-2 |
Synonyms: |
8-bromo-4-oxo-1H-quinoline-3-carboxylic acid |
IUPAC Name: | 8-bromo-4-oxo-1H-quinoline-3-carboxylic acid |
Description: | 8-Bromo-4-hydroxyquinoline-3-carboxylic acid (CAS# 35973-17-2) is a useful research chemical. |
Molecular Weight: | 268.06 |
Molecular Formula: | C10H6BrNO3 |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)NC=C(C2=O)C(=O)O |
InChI: | InChI=1S/C10H6BrNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15) |
InChI Key: | NKUGXZLINWIUOR-UHFFFAOYSA-N |
Boiling Point: | 409 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.804 g/cm3 |
LogP: | 2.40110 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
PMID | Publication Date | Title | Journal |
17064064 | 20061102 | Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2 | Journal of medicinal chemistry |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.95311 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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