5-Bromo-2-hydroxyquinoline - CAS 99465-09-5
Catalog: |
BB042295 |
Product Name: |
5-Bromo-2-hydroxyquinoline |
CAS: |
99465-09-5 |
Synonyms: |
5-bromo-1H-quinolin-2-one; 5-bromo-1H-quinolin-2-one |
IUPAC Name: | 5-bromo-1H-quinolin-2-one |
Description: | 5-Bromo-2-hydroxyquinoline (CAS# 99465-09-5) is a useful research chemical. |
Molecular Weight: | 224.05 |
Molecular Formula: | C9H6BrNO |
Canonical SMILES: | C1=CC2=C(C=CC(=O)N2)C(=C1)Br |
InChI: | InChI=1S/C9H6BrNO/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h1-5H,(H,11,12) |
InChI Key: | XLNXYWXWOLFEOD-UHFFFAOYSA-N |
MDL: | MFCD00006743 |
LogP: | 2.70290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 |
WO-2021003161-A1 | Beta adrenergic agonist and methods of using the same | 20190701 |
EP-3628669-A1 | Novel compounds as nadph oxidase inhibitors | 20180928 |
AU-2015311016-A1 | Quinolones as inhibitors of class IV bromodomain proteins | 20140901 |
CA-2959100-A1 | Quinolones as inhibitors of class iv bromodomain proteins | 20140901 |
EP-3189037-A1 | Quinolones as inhibitors of class iv bromodomain proteins | 20140901 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.96328 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Quinoline/Isoquinoline
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