| CAS Number | 948289-56-3 |
| Catalog Number | AG00IIK8(AGN-PC-01A9P5) |
| Chemical Name | 6-Chloro-8-methylquinoline-3-carboxylic acid |
| IUPAC Name | 6-chloro-8-methylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H8ClNO2/c1-6-2-9(12)4-7-3-8(11(14)15)5-13-10(6)7/h2-5H,1H3,(H,14,15) |
| InChI Key | AZUBVKRZQUUAAX-UHFFFAOYSA-N |
| MDL Number | MFCD09787823 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.6397 |
| SMILES | CC1=CC(=CC2=CC(=CN=C12)C(=O)O)Cl |
| Synonyms | 6-Chloro-8-methylquinoline-3-carboxylic acid,
948289-56-3,
SCHEMBL2310875,
DTXSID50589138,
MFCD09787823,
ZINC32099562,
AB52317,
OR309211,
DB-080039,
FT-0717325,
T6789,
6-Chloro-8-methylquinoline-3-carboxylic acid, AldrichCPR,
6-CHLORO-8-METHYLQUINOLINE-3-CARBOXYLICACID,
|
| Complexity | 259 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.64g/mol |
| Monoisotopic Mass | 221.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number