| CAS Number | 1192569-38-2 |
| Catalog Number | AG008U41(AGN-PC-0WNNQF) |
| Chemical Name | methyl 2-chloroquinoline-5-carboxylate |
| IUPAC Name | methyl 2-chloroquinoline-5-carboxylate |
| InChI | InChI=1S/C11H8ClNO2/c1-15-11(14)8-3-2-4-9-7(8)5-6-10(12)13-9/h2-6H,1H3 |
| InChI Key | KDYIUQAXLBVZEE-UHFFFAOYSA-N |
| MDL Number | MFCD14706029 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.6397 |
| SMILES | COC(C1=C2C(N=C(C=C2)Cl)=CC=C1)=O |
| Synonyms | methyl 2-chloroquinoline-5-carboxylate,
1192569-38-2,
2-chloro-5-quinolinecarboxylic acid methyl ester,
SCHEMBL10263150,
KDYIUQAXLBVZEE-UHFFFAOYSA-N,
9029AF,
ZINC68590144,
AKOS026729892,
Methyl 2-chloro-5-quinolinecarboxylate,
NE31888,
EN300-75612,
5-Quinolinecarboxylic acid, 2-chloro-, methyl ester,
F8881-4134,
C11H8ClNO2,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.64g/mol |
| Monoisotopic Mass | 221.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number