| CAS Number | 892874-55-4 |
| Catalog Number | AG0040NW(AGN-PC-01A9EO) |
| Chemical Name | 7-Chloroquinoline-2,3-dicarboxylic acid diethyl ester |
| IUPAC Name | diethyl 7-chloroquinoline-2,3-dicarboxylate |
| InChI | InChI=1S/C15H14ClNO4/c1-3-20-14(18)11-7-9-5-6-10(16)8-12(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3 |
| InChI Key | JQWWQBNHGCCJHZ-UHFFFAOYSA-N |
| MDL Number | MFCD08437570 |
| Molecular Formula | C15H14ClNO4 |
| Molecular Weight | 307.7290 |
| SMILES | CCOC(=O)c1nc2cc(Cl)ccc2cc1C(=O)OCC |
| Synonyms | 7-Chloroquinoline-2,3-dicarboxylic acid diethyl ester,
892874-55-4,
Diethyl 7-chloro-2,3-quinolinedicarboxylate,
CTK5G2801,
DTXSID40588877,
QU088,
MFCD08437570,
ZINC32099211,
AB45113,
OR307838,
DB-078370,
diethyl 7-chloroquinoline-2,3-dicarboxylate,
FT-0726435,
T6720,
7-Chloroquinoline-2,3-dicarboxylic acid diethyl ester, AldrichCPR,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.73g/mol |
| Monoisotopic Mass | 307.061g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number