| CAS Number | 83067-95-2 |
| Catalog Number | AG01ACO2 |
| Chemical Name | Ethyl 4-chloro-1,5-naphthyridine-3-carboxylate |
| IUPAC Name | ethyl 4-chloro-1,5-naphthyridine-3-carboxylate |
| InChI | InChI=1S/C11H9ClN2O2/c1-2-16-11(15)7-6-14-8-4-3-5-13-10(8)9(7)12/h3-6H,2H2,1H3 |
| InChI Key | ZAUJIZUBUCDAEU-UHFFFAOYSA-N |
| MDL Number | MFCD26526928 |
| Molecular Formula | C11H9ClN2O2 |
| Molecular Weight | 236.6544 |
| SMILES | CCOC(C1=C(C2=NC=CC=C2N=C1)Cl)=O |
| Synonyms | 83067-95-2,
ethyl 4-chloro-1,5-naphthyridine-3-carboxylate,
SCHEMBL9545028,
1,5-Naphthyridine-3-carboxylic acid, 4-chloro-, ethyl ester,
ZINC34308078,
FT-0715822,
4-Chloro-[1,5]naphthyridine-3-carboxylic acid ethyl ester,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.655g/mol |
| Monoisotopic Mass | 236.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number