| CAS Number | 206257-60-5 |
| Catalog Number | AG00BNOR(AGN-PC-0NHN29) |
| Chemical Name | 4-Chloro-6-iodo-quinoline-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 4-chloro-6-iodoquinoline-3-carboxylate |
| InChI | InChI=1S/C12H9ClINO2/c1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h3-6H,2H2,1H3 |
| InChI Key | PJJMPIMYGDXLRF-UHFFFAOYSA-N |
| MDL Number | MFCD02349007 |
| Molecular Formula | C12H9ClINO2 |
| Molecular Weight | 361.5628 |
| SMILES | ClC1=C(C=NC2=CC=C(C=C12)I)C(=O)OCC |
| Synonyms | 206257-60-5,
4-chloro-6-iodo-quinoline-3-carboxylic acid ethyl ester,
3-Quinolinecarboxylic acid, 4-chloro-6-iodo-,ethyl ester,
Oprea1_612813,
SCHEMBL3881231,
CTK8H5363,
DTXSID20476546,
PJJMPIMYGDXLRF-UHFFFAOYSA-N,
ethyl 6-iodo-4-chloro-3-quinolinecarboxylate,
ETHYL 4-CHLORO-6-IODOQUINOLINE-3-CARBOXYLATE,
4-Chloro-6-iodoquinoline-3-carboxylic acid ethyl ester,
4-CHLORO-6-IODO-QUINOLINE-3-CARBOXYLICACIDETHYLESTER,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.563g/mol |
| Monoisotopic Mass | 360.937g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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