| CAS Number | 104092-54-8 |
| Catalog Number | AG007WJU(AGN-PC-03BIF2) |
| Chemical Name | Ethyl 7-chlorocinnoline-3-carboxylate |
| IUPAC Name | ethyl 7-chlorocinnoline-3-carboxylate |
| InChI | InChI=1S/C11H9ClN2O2/c1-2-16-11(15)10-5-7-3-4-8(12)6-9(7)13-14-10/h3-6H,2H2,1H3 |
| InChI Key | PHDNOFTVHXOAJB-UHFFFAOYSA-N |
| MDL Number | MFCD17926299 |
| Molecular Formula | C11H9ClN2O2 |
| Molecular Weight | 236.6544 |
| SMILES | CCOC(=O)C1=NN=C2C=C(Cl)C=CC2=C1 |
| Synonyms | ETHYL 7-CHLOROCINNOLINE-3-CARBOXYLATE,
104092-54-8,
3-Cinnolinecarboxylic acid, 7-chloro-, ethyl ester,
ACMC-20m6vm,
SCHEMBL1504538,
CTK0G6596,
DTXSID90613769,
MFCD17926299,
ZINC66054664,
AS-35601,
AX8266473,
X-2134,
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| 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