| CAS Number | 103514-54-1 |
| Catalog Number | AG00HA36(AGN-PC-00MJP3) |
| Chemical Name | 3-Quinolinecarboxylic acid, 4-chloro-6-nitro-, ethyl ester |
| IUPAC Name | ethyl 4-chloro-6-nitroquinoline-3-carboxylate |
| InChI | InChI=1S/C12H9ClN2O4/c1-2-19-12(16)9-6-14-10-4-3-7(15(17)18)5-8(10)11(9)13/h3-6H,2H2,1H3 |
| InChI Key | UYLBXSAYGSUOJS-UHFFFAOYSA-N |
| MDL Number | MFCD02077676 |
| Molecular Formula | C12H9ClN2O4 |
| Molecular Weight | 280.6639 |
| SMILES | O=C(C1=C(Cl)C2=CC([N+]([O-])=O)=CC=C2N=C1)OCC |
| Synonyms | ETHYL 4-CHLORO-6-NITROQUINOLINE-3-CARBOXYLATE,
103514-54-1,
Ethyl 4-chloro-6-nitro-quinoline-3-carboxylate,
SCHEMBL538523,
DTXSID20540574,
UYLBXSAYGSUOJS-UHFFFAOYSA-N,
MFCD02077676,
ZINC26463157,
AKOS002676266,
AJ-82415,
AS-31849,
AX8251728,
X-2231,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.664g/mol |
| Monoisotopic Mass | 280.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number