8-Chloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester - CAS 73987-37-8
Catalog: |
BB034968 |
Product Name: |
8-Chloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester |
CAS: |
73987-37-8 |
Synonyms: |
ethyl 8-chloro-4-oxo-1H-quinoline-3-carboxylate |
IUPAC Name: | ethyl 8-chloro-4-oxo-1H-quinoline-3-carboxylate |
Description: | 8-Chloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester (CAS# 73987-37-8) is a useful research chemical. |
Molecular Weight: | 251.67 |
Molecular Formula: | C12H10ClNO3 |
Canonical SMILES: | CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2Cl |
InChI: | InChI=1S/C12H10ClNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15) |
InChI Key: | CVTZGJPEFPRNNB-UHFFFAOYSA-N |
Boiling Point: | 376.8 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.351 g/cm3 |
LogP: | 2.77050 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10195213-B2 | Chemical entities that kill senescent cells for use in treating age-related disease | 20150313 |
US-2017281649-A1 | Compounds and therapeutic uses | 20150313 |
US-2015335671-A1 | Small-molecule binding site on pro-apoptotic bax regulates inhibition of bax activity | 20130114 |
EP-2821401-A1 | Heterocyclic compound and use therefor | 20120302 |
JP-6211509-B2 | Heterocyclic compounds and uses thereof | 20120302 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.0349209 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.0349209 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Quinoline/Isoquinoline
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