| CAS Number | 99429-65-9 |
| Catalog Number | AG005SD3(AGN-PC-0JWUDT) |
| Chemical Name | 3-Quinolinecarboxylic acid, 4-chloro-1,2-dihydro-2-oxo- |
| IUPAC Name | 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H6ClNO3/c11-8-5-3-1-2-4-6(5)12-9(13)7(8)10(14)15/h1-4H,(H,12,13)(H,14,15) |
| InChI Key | NTCNBKQOUPVIJW-UHFFFAOYSA-N |
| MDL Number | MFCD00634792 |
| Molecular Formula | C10H6ClNO3 |
| Molecular Weight | 223.6125 |
| SMILES | O=C(C1=C(Cl)C2=C(NC1=O)C=CC=C2)O |
| Synonyms | 99429-65-9,
4-Chloro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid,
3-Quinolinecarboxylic acid, 4-chloro-1,2-dihydro-2-oxo-,
AC1LHLRF,
ACMC-20m2t5,
4-chloro-2-oxo-1H-quinoline-3-carboxylic acid,
Oprea1_766945,
SCHEMBL13997679,
CTK3F1168,
DTXSID00357001,
ZINC368714,
4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylic,
CID839978,
AG-690/40097161,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.612g/mol |
| Monoisotopic Mass | 223.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number