| CAS Number | 1263094-00-3 |
| Catalog Number | AG009GPF(AGN-PC-0WAH8C) |
| Chemical Name | 7-Chlorokynurenic acid (sodium salt) |
| IUPAC Name | sodium;7-chloro-4-oxo-1H-quinoline-2-carboxylate |
| InChI | InChI=1S/C10H6ClNO3.Na/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13;/h1-4H,(H,12,13)(H,14,15);/q;+1/p-1 |
| InChI Key | IFZYIORLNGNLEI-UHFFFAOYSA-M |
| MDL Number | MFCD12195840 |
| Molecular Formula | C10H5ClNNaO3 |
| Molecular Weight | 245.5944 |
| SMILES | N1C2C(=CC=C(Cl)C=2)C(O)=CC=1C(O[Na])=O |
| Synonyms | 7-Chlorokynurenic acid sodium salt,
1263094-00-3,
7-chloro-4-oxo-1H-quinoline-2-carboxylic acid.,
AKOS024457756,
HY-100811A,
C-286,
CS-0028701,
J-005367,
7-Chloro-4-hydroxyquinoline-2-carboxylic acid sodium salt,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.594g/mol |
| Monoisotopic Mass | 244.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number