| CAS Number | 948290-52-6 |
| Catalog Number | AG00IIKA(AGN-PC-01A9Q4) |
| Chemical Name | 7-Chloro-8-methylquinoline-3-carboxylic acid |
| IUPAC Name | 7-chloro-8-methylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H8ClNO2/c1-6-9(12)3-2-7-4-8(11(14)15)5-13-10(6)7/h2-5H,1H3,(H,14,15) |
| InChI Key | ZXPHIRMIGFRUSX-UHFFFAOYSA-N |
| MDL Number | MFCD09787859 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.6397 |
| SMILES | CC1=C2C(C=C(C(O)=O)C=N2)=CC=C1Cl |
| Synonyms | 7-Chloro-8-methylquinoline-3-carboxylic acid,
948290-52-6,
DTXSID80589166,
MFCD09787859,
ZINC32099620,
AB52399,
OR309225,
DB-080054,
FT-0737317,
T6792,
7-Chloro-8-methylquinoline-3-carboxylic acid, AldrichCPR,
7-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