| CAS Number | 1803567-61-4 |
| Catalog Number | AG01BBUJ(AGN-PC-0WCQR9) |
| Chemical Name | 3-Chloroquinoline-2-carboxylic acid |
| IUPAC Name | 3-chloroquinoline-2-carboxylic acid |
| InChI | InChI=1S/C10H6ClNO2/c11-7-5-6-3-1-2-4-8(6)12-9(7)10(13)14/h1-5H,(H,13,14) |
| InChI Key | KFSYXJLUCGGLBK-UHFFFAOYSA-N |
| MDL Number | MFCD26521657 |
| Molecular Formula | C10H6ClNO2 |
| Molecular Weight | 207.6131 |
| SMILES | OC(C1=C(Cl)C=C2C(C=CC=C2)=N1)=O |
| Synonyms | 3-chloroquinoline-2-carboxylic acid,
1803567-61-4,
Chlorchinolincarbonsaure,
SCHEMBL2777042,
MFCD26521657,
AKOS027196338,
ZINC167198819,
Z2130740518,
N/A,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.613g/mol |
| Monoisotopic Mass | 207.009g/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