8-Bromo-4-hydroxyquinoline - CAS 57798-00-2
Catalog: |
BB029826 |
Product Name: |
8-Bromo-4-hydroxyquinoline |
CAS: |
57798-00-2 |
Synonyms: |
8-bromo-1H-quinolin-4-one |
IUPAC Name: | 8-bromo-1H-quinolin-4-one |
Description: | 8-Bromo-4-hydroxyquinoline (CAS# 57798-00-2) is a useful research chemical. |
Molecular Weight: | 224.05 |
Molecular Formula: | C9H6BrNO |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)NC=CC2=O |
InChI: | InChI=1S/C9H6BrNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12) |
InChI Key: | HLALMUWUZUGIGR-UHFFFAOYSA-N |
Boiling Point: | 370.732 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.705 g/cm3 |
LogP: | 2.70290 |
GHS Hazard Statement: | H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113372345-A | Deuterated heterocyclic kinase inhibitors | 20200225 |
WO-2021122911-A1 | Anthelmintic compounds comprising a quinoline structure | 20191218 |
WO-2021116446-A1 | Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
WO-2021116451-A1 | Heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
CN-113024435-A | Linbicyclic structure sigma-1 receptor inhibitors | 20191209 |
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: | 2 |
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: | 2.2 |
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Quinoline/Isoquinoline
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