| CAS Number | 399017-39-1 |
| Catalog Number | AG01B9O3(AGN-PC-0K0YW7) |
| Chemical Name | 2-chloro-8-methylquinoline-3-carboxylicacid |
| IUPAC Name | 2-chloro-8-methylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H8ClNO2/c1-6-3-2-4-7-5-8(11(14)15)10(12)13-9(6)7/h2-5H,1H3,(H,14,15) |
| InChI Key | BVEMEOSELOITBF-UHFFFAOYSA-N |
| MDL Number | MFCD02587937 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.6397 |
| SMILES | O=C(C1=CC2=CC=CC(C)=C2N=C1Cl)O |
| Synonyms | 2-chloro-8-methylquinoline-3-carboxylic acid,
399017-39-1,
AC1LMNCC,
SCHEMBL2312441,
ZINC5520589,
AKOS002854603,
CID1133158,
2-chloro-8-methyl-quinoline-3-carboxylic Acid,
|
| 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 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number