4-Chloro-6-methoxyquinoline-3-carboxylic acid ethyl ester - CAS 22931-71-1
Catalog: |
BB017824 |
Product Name: |
4-Chloro-6-methoxyquinoline-3-carboxylic acid ethyl ester |
CAS: |
22931-71-1 |
Synonyms: |
ethyl 4-chloro-6-methoxyquinoline-3-carboxylate |
IUPAC Name: | ethyl 4-chloro-6-methoxyquinoline-3-carboxylate |
Description: | 4-Chloro-6-methoxyquinoline-3-carboxylic acid ethyl ester (CAS# 22931-71-1) is a useful research chemical. |
Molecular Weight: | 265.69 |
Molecular Formula: | C13H12ClNO3 |
Canonical SMILES: | CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)OC |
InChI: | InChI=1S/C13H12ClNO3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3 |
InChI Key: | QURGQUFEJWWDRF-UHFFFAOYSA-N |
Boiling Point: | 366.9 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.282 g/cm3 |
Appearance: | Light yellow powder |
MDL: | MFCD00173417 |
LogP: | 3.07350 |
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 |
Publication Number | Title | Priority Date |
WO-2019089626-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 20171030 |
EP-3704102-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 20171030 |
US-2021179630-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 20171030 |
AU-2012295255-A1 | Sweet flavor modifier | 20110812 |
AU-2012295255-B2 | Sweet flavor modifier | 20110812 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.0505709 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.0505709 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 48.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Quinoline/Isoquinoline
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS