| CAS Number | 88349-90-0 |
| Catalog Number | AG0045Z3(AGN-PC-03HXAK) |
| Chemical Name | Ethyl 2-[(5-chloroquinolin-8-yl)oxy]acetate |
| IUPAC Name | ethyl 2-(5-chloroquinolin-8-yl)oxyacetate |
| InChI | InChI=1S/C13H12ClNO3/c1-2-17-12(16)8-18-11-6-5-10(14)9-4-3-7-15-13(9)11/h3-7H,2,8H2,1H3 |
| InChI Key | JEMXUSHXYOXNFL-UHFFFAOYSA-N |
| MDL Number | MFCD04275530 |
| Molecular Formula | C13H12ClNO3 |
| Molecular Weight | 265.6923 |
| SMILES | O=C(OCC)COC1=C2N=CC=CC2=C(Cl)C=C1 |
| Synonyms | 88349-90-0,
ethyl [(5-chloroquinolin-8-yl)oxy]acetate,
Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, ethyl ester,
ethyl 2-[(5-chloroquinolin-8-yl)oxy]acetate,
Ethyl 2-((5-chloroquinolin-8-yl)oxy)acetate,
ethyl 2-(5-chloro-8-quinolyloxy)acetate,
SCHEMBL342559,
AC1Q351H,
CTK3B3222,
DTXSID40620302,
ALBB-024505,
ZINC6941030,
MFCD04275530,
SBB071956,
AKOS003310053,
MCULE-3061739726,
ST072042,
R8438,
EN300-54320,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.693g/mol |
| Monoisotopic Mass | 265.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number