| CAS Number | 59666-15-8 |
| Catalog Number | AG00EC5M(AGN-PC-0WB39L) |
| Chemical Name | 7-Chloro-2-methylquinoline-4-carboxylic acid |
| IUPAC Name | 7-chloro-2-methylquinoline-4-carboxylic acid |
| InChI | InChI=1S/C11H8ClNO2/c1-6-4-9(11(14)15)8-3-2-7(12)5-10(8)13-6/h2-5H,1H3,(H,14,15) |
| InChI Key | WOONUCDWZWZHGF-UHFFFAOYSA-N |
| MDL Number | MFCD00454150 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.6397 |
| SMILES | ClC1=CC=C2C(=CC(=NC2=C1)C)C(=O)O |
| Synonyms | 59666-15-8,
7-CHLORO-2-METHYLQUINOLINE-4-CARBOXYLIC ACID,
CHEMBRDG-BB 4003775,
7-chloro-2-methyl-4-quinolinecarboxylic acid,
SCHEMBL5760270,
CTK5B0269,
DTXSID10360703,
ZINC875132,
MFCD00454150,
AKOS010211349,
AJ-24129,
2-methyl-7-chloroquinoline-4-carboxylic acid,
W-6936,
CHEMBRDG-BB4003775,
CID1134106,
7-chloro-2-methyl-quinoline-4-carboxylic Acid,
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| 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
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Certificate of Analysis
Lot Number