| CAS Number | 1564787-54-7 |
| Catalog Number | AG01DVOP |
| Chemical Name | 2-(5-chloroquinolin-8-yl)acetic acid |
| IUPAC Name | 2-(5-chloroquinolin-8-yl)acetic acid |
| InChI | InChI=1S/C11H8ClNO2/c12-9-4-3-7(6-10(14)15)11-8(9)2-1-5-13-11/h1-5H,6H2,(H,14,15) |
| InChI Key | POIRXGXUELQJCU-UHFFFAOYSA-N |
| MDL Number | MFCD26058620 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.6397 |
| SMILES | OC(CC1=C2C(C=CC=N2)=C(Cl)C=C1)=O |
| Synonyms | 2-(5-chloroquinolin-8-yl)acetic acid,
1564787-54-7,
AKOS034131877,
|
| Complexity | 247 |
| 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 | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number